Organic phosphonic acids and derivatives

Organic compounds that consist of phosphonic acid with organic functional group substitutions; includes compounds that are derived from organic phosphonic acids.

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Diethyl phenylthiomethylphosphonate, 96%

CAS: 38066-16-9 Molecular Formula: C11H17O3PS Molecular Weight (g/mol): 260.288 MDL Number: MFCD00015130 InChI Key: FBUXEPJJFVDUFE-UHFFFAOYSA-N Synonym: diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate # PubChem CID: 99227 IUPAC Name: diethoxyphosphorylmethylsulfanylbenzene SMILES: CCOP(=O)(CSC1=CC=CC=C1)OCC

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PubChem CID	99227
CAS	38066-16-9
Molecular Weight (g/mol)	260.288
MDL Number	MFCD00015130
SMILES	CCOP(=O)(CSC1=CC=CC=C1)OCC
Synonym	diethyl phenylthiomethylphosphonate,diethyl phenylthio methyl phosphonate,diethyl phenylsulfanyl methylphosphonate,phosphonic acid, phenylthio methyl-, diethyl ester,diethoxy phenylthiomethyl phosphino-1-one,diethylphenylthiomethylphosphonate,acmc-1bn85,diethyl-phenylthiomethylphosphonate,diethyl methylthiobenzyl phosphonate,diethyl phenylsulfanyl methylphosphonate #
IUPAC Name	diethoxyphosphorylmethylsulfanylbenzene
InChI Key	FBUXEPJJFVDUFE-UHFFFAOYSA-N
Molecular Formula	C11H17O3PS

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Diethyl 4-aminobenzylphosphonate, 99%

CAS: 20074-79-7 Molecular Formula: C11H18NO3P Molecular Weight (g/mol): 243.24 MDL Number: MFCD00007913 InChI Key: ZVAYUUUQOCPZCZ-UHFFFAOYSA-N Synonym: diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830 PubChem CID: 88358 SMILES: CCOP(=O)(CC1=CC=C(N)C=C1)OCC

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PubChem CID	88358
CAS	20074-79-7
Molecular Weight (g/mol)	243.24
MDL Number	MFCD00007913
SMILES	CCOP(=O)(CC1=CC=C(N)C=C1)OCC
Synonym	diethyl 4-aminobenzylphosphonate,diethyl p-aminobenzylphosphonate,4-diethoxyphosphorylmethyl aniline,p-aminobenzylphosphonic acid diethyl ester,diethyl p-aminobenzyl phosphonate,phosphonic acid, p-aminobenzyl-, diethyl ester,diethyl 4-aminophenyl methylphosphonate,phosphonic acid, 4-aminophenyl methyl-, diethyl ester,timtec-bb sbb000830
InChI Key	ZVAYUUUQOCPZCZ-UHFFFAOYSA-N
Molecular Formula	C11H18NO3P

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Diethyl iodomethylphosphonate, 98+%

CAS: 10419-77-9 Molecular Formula: C5H12IO3P Molecular Weight (g/mol): 278.03 MDL Number: MFCD00041386 InChI Key: PNFHTBDRPOJJTQ-UHFFFAOYSA-N Synonym: diethyl iodomethylphosphonate,diethyl iodomethyl phosphonate,phosphonic acid, iodomethyl-, diethyl ester,acmc-20al8r,diethyliodomethylphosphonate,diethyl iodomethanephosphonate,iodomethylphosphonic acid diethyl ester,diethyl iodomethylphosphonate 5g,iodomethyl-phosphonic acid diethyl ester PubChem CID: 82616 IUPAC Name: 1-[ethoxy(iodomethyl)phosphoryl]oxyethane SMILES: CCOP(=O)(CI)OCC

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PubChem CID	82616
CAS	10419-77-9
Molecular Weight (g/mol)	278.03
MDL Number	MFCD00041386
SMILES	CCOP(=O)(CI)OCC
Synonym	diethyl iodomethylphosphonate,diethyl iodomethyl phosphonate,phosphonic acid, iodomethyl-, diethyl ester,acmc-20al8r,diethyliodomethylphosphonate,diethyl iodomethanephosphonate,iodomethylphosphonic acid diethyl ester,diethyl iodomethylphosphonate 5g,iodomethyl-phosphonic acid diethyl ester
IUPAC Name	1-[ethoxy(iodomethyl)phosphoryl]oxyethane
InChI Key	PNFHTBDRPOJJTQ-UHFFFAOYSA-N
Molecular Formula	C5H12IO3P

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Triethyl 2-phosphonobutyrate, 97%

CAS: 17145-91-4 Molecular Formula: C10H21O5P Molecular Weight (g/mol): 252.247 MDL Number: MFCD00041347 InChI Key: GYUCVQSNZFRDRL-UHFFFAOYSA-N Synonym: triethyl 2-phosphonobutyrate,ethyl 2-diethoxyphosphoryl butanoate,ethyl 2-diethylphosphono butyrate,butanoic acid, 2-diethoxyphosphinyl-, ethyl ester,triethyl 2-phosphonobutanoate,.alpha.-diethylphosphono butanoic acid, ethyl ester,butyric acid, 2-phosphono-, triethyl ester,butyric acid, triethyl ester,triethyl 2-phosphonobu-tyrate,triethyl-2-phosphono butyrate PubChem CID: 229053 IUPAC Name: ethyl 2-diethoxyphosphorylbutanoate SMILES: CCC(C(=O)OCC)P(=O)(OCC)OCC

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PubChem CID	229053
CAS	17145-91-4
Molecular Weight (g/mol)	252.247
MDL Number	MFCD00041347
SMILES	CCC(C(=O)OCC)P(=O)(OCC)OCC
Synonym	triethyl 2-phosphonobutyrate,ethyl 2-diethoxyphosphoryl butanoate,ethyl 2-diethylphosphono butyrate,butanoic acid, 2-diethoxyphosphinyl-, ethyl ester,triethyl 2-phosphonobutanoate,.alpha.-diethylphosphono butanoic acid, ethyl ester,butyric acid, 2-phosphono-, triethyl ester,butyric acid, triethyl ester,triethyl 2-phosphonobu-tyrate,triethyl-2-phosphono butyrate
IUPAC Name	ethyl 2-diethoxyphosphorylbutanoate
InChI Key	GYUCVQSNZFRDRL-UHFFFAOYSA-N
Molecular Formula	C10H21O5P

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Diethyl (2-oxopropyl)phosphonate, 96%

CAS: 1067-71-6 Molecular Formula: C₇H₁₉O₄P Molecular Weight (g/mol): 198.2 MDL Number: MFCD00044728 InChI Key: RSAFKRSMGOSHRK-UHFFFAOYSA-N Synonym: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate PubChem CID: 14028 IUPAC Name: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC

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PubChem CID	14028
CAS	1067-71-6
Molecular Weight (g/mol)	198.2
MDL Number	MFCD00044728
SMILES	CCOP(=O)(CC(=O)C)OCC
Synonym	diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate
IUPAC Name	1-diethoxyphosphorylpropan-2-one
InChI Key	RSAFKRSMGOSHRK-UHFFFAOYSA-N
Molecular Formula	C₇H₁₉O₄P

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Triethyl 4-phosphonobutyrate, 97%

CAS: 2327-69-7 Molecular Formula: C10H21O5P Molecular Weight (g/mol): 252.247 MDL Number: MFCD00015168 InChI Key: FYESTJSRASJZOY-UHFFFAOYSA-N PubChem CID: 281201 IUPAC Name: ethyl 4-diethoxyphosphorylbutanoate SMILES: CCOC(=O)CCCP(=O)(OCC)OCC

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PubChem CID	281201
CAS	2327-69-7
Molecular Weight (g/mol)	252.247
MDL Number	MFCD00015168
SMILES	CCOC(=O)CCCP(=O)(OCC)OCC
IUPAC Name	ethyl 4-diethoxyphosphorylbutanoate
InChI Key	FYESTJSRASJZOY-UHFFFAOYSA-N
Molecular Formula	C10H21O5P

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Triethyl 2-phosphonopropionate, 98%

CAS: 3699-66-9 Molecular Formula: C₉H₁₉O₅P Molecular Weight (g/mol): 238.22 MDL Number: MFCD00009159 InChI Key: BVSRWCMAJISCTD-UHFFFAOYSA-N Synonym: triethyl 2-phosphonopropionate,ethyl 2-diethoxyphosphoryl propanoate,ethyl-2-diethylphosphono propanoate,diethyl 1-carbethoxy ethylphosphonate,propanoic acid, 2-diethoxyphosphinyl-, ethyl ester,diethyl ethoxycarbonylethyl-phosphonate,diethyl 1-ethoxycarbonyl ethanephosphonate,2-diethoxyphosphinyl propanoic acid ethyl ester,diethyl 1-ethoxycarbonyl ethanephosphonate∼2-phosphonopropionic acid triethyl ester,triethyl2-phosphonopropionate PubChem CID: 107155 IUPAC Name: ethyl 2-diethoxyphosphorylpropanoate SMILES: CCOC(=O)C(C)P(=O)(OCC)OCC

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PubChem CID	107155
CAS	3699-66-9
Molecular Weight (g/mol)	238.22
MDL Number	MFCD00009159
SMILES	CCOC(=O)C(C)P(=O)(OCC)OCC
Synonym	triethyl 2-phosphonopropionate,ethyl 2-diethoxyphosphoryl propanoate,ethyl-2-diethylphosphono propanoate,diethyl 1-carbethoxy ethylphosphonate,propanoic acid, 2-diethoxyphosphinyl-, ethyl ester,diethyl ethoxycarbonylethyl-phosphonate,diethyl 1-ethoxycarbonyl ethanephosphonate,2-diethoxyphosphinyl propanoic acid ethyl ester,diethyl 1-ethoxycarbonyl ethanephosphonate∼2-phosphonopropionic acid triethyl ester,triethyl2-phosphonopropionate
IUPAC Name	ethyl 2-diethoxyphosphorylpropanoate
InChI Key	BVSRWCMAJISCTD-UHFFFAOYSA-N
Molecular Formula	C₉H₁₉O₅P

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Diethyl acetylmethylphosphonate, 97%, Thermo Scientific Chemicals

CAS: 1067-71-6 Molecular Formula: C7H15O4P Molecular Weight (g/mol): 194.167 MDL Number: MFCD00044728 InChI Key: RSAFKRSMGOSHRK-UHFFFAOYSA-N Synonym: diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate PubChem CID: 14028 IUPAC Name: 1-diethoxyphosphorylpropan-2-one SMILES: CCOP(=O)(CC(=O)C)OCC

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PubChem CID	14028
CAS	1067-71-6
Molecular Weight (g/mol)	194.167
MDL Number	MFCD00044728
SMILES	CCOP(=O)(CC(=O)C)OCC
Synonym	diethyl 2-oxopropyl phosphonate,diethyl acetonylphosphonate,diethyl 2-oxopropylphosphonate,acetonylphosphonic acid diethyl ester,2-oxopropyl phosphonic acid diethyl ester,phosphonic acid, 2-oxopropyl-, diethyl ester,aurora ka-1476,ksc490a4t,diethyl acetylmethylphosphonate
IUPAC Name	1-diethoxyphosphorylpropan-2-one
InChI Key	RSAFKRSMGOSHRK-UHFFFAOYSA-N
Molecular Formula	C7H15O4P

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Chloromethylphosphonic acid, 98%, Thermo Scientific Chemicals

CAS: 2565-58-4 Molecular Formula: CH4ClO3P Molecular Weight (g/mol): 130.46 MDL Number: MFCD00013955 InChI Key: MOFCYHDQWIZKMY-UHFFFAOYSA-N Synonym: chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 % PubChem CID: 75723 IUPAC Name: chloromethylphosphonic acid SMILES: OP(O)(=O)CCl

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PubChem CID	75723
CAS	2565-58-4
Molecular Weight (g/mol)	130.46
MDL Number	MFCD00013955
SMILES	OP(O)(=O)CCl
Synonym	chloromethyl phosphonic acid,phosphonic acid, chloromethyl,chloromethanephosphonic acid,phosphonic acid, p-chloromethyl,monochloromethyl phosphonic acid,chloromethylphosphite,phosphonomethyl chloride,chloromethyl-phosphonicaci,phosphonic acid,p-chloromethyl,chloromethyl phosphonic acid, 98 %
IUPAC Name	chloromethylphosphonic acid
InChI Key	MOFCYHDQWIZKMY-UHFFFAOYSA-N
Molecular Formula	CH4ClO3P

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Diethyl allylphosphonate, 97%

CAS: 1067-87-4 Molecular Formula: C7H15O3P Molecular Weight (g/mol): 178.17 MDL Number: MFCD00015134 InChI Key: YPJHXRAHMUKXAE-UHFFFAOYSA-N Synonym: diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester PubChem CID: 573014 IUPAC Name: 3-diethoxyphosphorylprop-1-ene SMILES: CCOP(=O)(CC=C)OCC

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PubChem CID	573014
CAS	1067-87-4
Molecular Weight (g/mol)	178.17
MDL Number	MFCD00015134
SMILES	CCOP(=O)(CC=C)OCC
Synonym	diethyl allylphosphonate,diethyl prop-2-en-1-ylphosphonate,diethyl-allylphosphonate,acmc-1bprn,phosphonic acid, 2-propenyl-, diethyl ester,allylphosphonic acid diethyl,3-diethoxyphosphoryl-prop-1-ene,allylphosphonic acid diethyl ester,allyl phosphonic acid diethyl ester
IUPAC Name	3-diethoxyphosphorylprop-1-ene
InChI Key	YPJHXRAHMUKXAE-UHFFFAOYSA-N
Molecular Formula	C7H15O3P

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Dimethyl (2-oxopropyl)phosphonate, 95%

CAS: 4202-14-6 Molecular Formula: C₅H₁₁O₄P Molecular Weight (g/mol): 166.11 MDL Number: MFCD00008769 InChI Key: UOWIYNWMROWVDG-UHFFFAOYSA-N Synonym: dimethyl 2-oxopropyl phosphonate,dimethyl acetylmethylphosphonate,dimethyl 2-oxopropylphosphonate,dimethyl acetonylphosphonate,2-oxopropyl phosphonic acid dimethyl ester,1-dimethoxycarbonyl acetone,acmc-209jmw,dimethoxyphosphoryl acetone PubChem CID: 77872 IUPAC Name: 1-dimethoxyphosphorylpropan-2-one SMILES: CC(=O)CP(=O)(OC)OC

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PubChem CID	77872
CAS	4202-14-6
Molecular Weight (g/mol)	166.11
MDL Number	MFCD00008769
SMILES	CC(=O)CP(=O)(OC)OC
Synonym	dimethyl 2-oxopropyl phosphonate,dimethyl acetylmethylphosphonate,dimethyl 2-oxopropylphosphonate,dimethyl acetonylphosphonate,2-oxopropyl phosphonic acid dimethyl ester,1-dimethoxycarbonyl acetone,acmc-209jmw,dimethoxyphosphoryl acetone
IUPAC Name	1-dimethoxyphosphorylpropan-2-one
InChI Key	UOWIYNWMROWVDG-UHFFFAOYSA-N
Molecular Formula	C₅H₁₁O₄P

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Diisopropyl methylphosphonate, 90%, Thermo Scientific Chemicals

CAS: 1445-75-6 Molecular Formula: C7H17O3P Molecular Weight (g/mol): 180.18 MDL Number: MFCD00015022 InChI Key: WOAFDHWYKSOANX-UHFFFAOYSA-N Synonym: diisopropyl methylphosphonate,diisopropyl methanephosphonate,bis 1-methylethyl methylphosphonate,unii-56v3og5dc7,methylphosphonic acid diisopropyl ester,phosphonic acid, methyl-, bis 1-methylethyl ester,phosphonic acid, methyl-, diisopropyl ester,methylphosphonic acid bis 1-methylethyl ester,dsstox_cid_4051,dsstox_rid_77269 PubChem CID: 3073 ChEBI: CHEBI:77325 IUPAC Name: 2-[methyl(propan-2-yloxy)phosphoryl]oxypropane SMILES: CC(C)OP(C)(=O)OC(C)C

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PubChem CID	3073
CAS	1445-75-6
Molecular Weight (g/mol)	180.18
ChEBI	CHEBI:77325
MDL Number	MFCD00015022
SMILES	CC(C)OP(C)(=O)OC(C)C
Synonym	diisopropyl methylphosphonate,diisopropyl methanephosphonate,bis 1-methylethyl methylphosphonate,unii-56v3og5dc7,methylphosphonic acid diisopropyl ester,phosphonic acid, methyl-, bis 1-methylethyl ester,phosphonic acid, methyl-, diisopropyl ester,methylphosphonic acid bis 1-methylethyl ester,dsstox_cid_4051,dsstox_rid_77269
IUPAC Name	2-[methyl(propan-2-yloxy)phosphoryl]oxypropane
InChI Key	WOAFDHWYKSOANX-UHFFFAOYSA-N
Molecular Formula	C7H17O3P

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Diethyl 12-mercaptododecylphosphonate, 95%

CAS: 1049677-30-6 Molecular Formula: C16H35O3PS Molecular Weight (g/mol): 338.49 MDL Number: MFCD11046117 InChI Key: JAVFXEXYSKLPHD-UHFFFAOYSA-N Synonym: diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester PubChem CID: 45158995 IUPAC Name: 12-diethoxyphosphoryldodecane-1-thiol SMILES: CCOP(=O)(CCCCCCCCCCCCS)OCC

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PubChem CID	45158995
CAS	1049677-30-6
Molecular Weight (g/mol)	338.49
MDL Number	MFCD11046117
SMILES	CCOP(=O)(CCCCCCCCCCCCS)OCC
Synonym	diethyl 12-mercaptododecylphosphonate,diethyl 12-sulfanyldodecylphosphonate,12-mercaptododecylphosphonic acid diethyl ester
IUPAC Name	12-diethoxyphosphoryldodecane-1-thiol
InChI Key	JAVFXEXYSKLPHD-UHFFFAOYSA-N
Molecular Formula	C16H35O3PS

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Diisopropyl cyanomethylphosphonate, 97%

CAS: 21658-95-7 Molecular Formula: C8H16NO3P Molecular Weight (g/mol): 205.194 MDL Number: MFCD00009812 InChI Key: MQDIIJHQSUNBKA-UHFFFAOYSA-N Synonym: diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester PubChem CID: 88997 IUPAC Name: 2-di(propan-2-yloxy)phosphorylacetonitrile SMILES: CC(C)OP(=O)(CC#N)OC(C)C

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PubChem CID	88997
CAS	21658-95-7
Molecular Weight (g/mol)	205.194
MDL Number	MFCD00009812
SMILES	CC(C)OP(=O)(CC#N)OC(C)C
Synonym	diisopropyl cyanomethyl phosphonate,diisopropyl cyanomethylphosphonate,diisopropyl cyanomethylphosphonate,,acmc-20al7r,diisopropoxyphosphinylacetonitrile,2-di propan-2-yloxy phosphorylacetonitrile,diisopropyl cyanomethylphosphonate 5g,phosphonic acid,p-cyanomethyl-, bis 1-methylethyl ester
IUPAC Name	2-di(propan-2-yloxy)phosphorylacetonitrile
InChI Key	MQDIIJHQSUNBKA-UHFFFAOYSA-N
Molecular Formula	C8H16NO3P

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12-Azidododecylphosphonic acid, 95%

CAS: 721457-32-5 Molecular Formula: C12H26N3O3P Molecular Weight (g/mol): 291.332 MDL Number: MFCD17012690 InChI Key: WHRLXOVKIALVOF-UHFFFAOYSA-N PubChem CID: 97638952 IUPAC Name: 12-azidododecylphosphonic acid SMILES: C(CCCCCCP(=O)(O)O)CCCCCN=[N+]=[N-]

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PubChem CID	97638952
CAS	721457-32-5
Molecular Weight (g/mol)	291.332
MDL Number	MFCD17012690
SMILES	C(CCCCCCP(=O)(O)O)CCCCCN=[N+]=[N-]
IUPAC Name	12-azidododecylphosphonic acid
InChI Key	WHRLXOVKIALVOF-UHFFFAOYSA-N
Molecular Formula	C12H26N3O3P

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