Alpha-halocarboxylic acids and derivatives

Organic compounds that contain a carboxyl group bonded to a halogen group in the alpha position; halogen groups consist of one or more halogen atoms (F, Cl, B, I, At). Includes compounds that are derived from alpha-halocarboxylic acids.

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61 – 75 of 572 results

Zinc trifluoroacetate hydrate

CAS: 207801-31-8 Molecular Formula: C4F6O4Zn Molecular Weight (g/mol): 291.41 MDL Number: MFCD00061595 InChI Key: VCQWRGCXUWPSGY-UHFFFAOYSA-L Synonym: zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate PubChem CID: 57375648 IUPAC Name: zinc;2,2,2-trifluoroacetate;hydrate SMILES: [Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F

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PubChem CID	57375648
CAS	207801-31-8
Molecular Weight (g/mol)	291.41
MDL Number	MFCD00061595
SMILES	[Zn++].[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
Synonym	zinc trifluoroacetate hydrate,acmc-1ch94,zinc trifluoroacetate-water 1/2/1,zinc 2+ hydrate ditrifluoroacetate
IUPAC Name	zinc;2,2,2-trifluoroacetate;hydrate
InChI Key	VCQWRGCXUWPSGY-UHFFFAOYSA-L
Molecular Formula	C4F6O4Zn

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Ethyl iodoacetate, 98%, stabilized, Thermo Scientific Chemicals

CAS: 623-48-3 Molecular Formula: C4H7IO2 Molecular Weight (g/mol): 214.00 MDL Number: MFCD00001081 InChI Key: MFFXVVHUKRKXCI-UHFFFAOYSA-N Synonym: ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl PubChem CID: 12183 IUPAC Name: ethyl 2-iodoacetate SMILES: CCOC(=O)CI

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Specifications

PubChem CID	12183
CAS	623-48-3
Molecular Weight (g/mol)	214.00
MDL Number	MFCD00001081
SMILES	CCOC(=O)CI
Synonym	ethyl iodoacetate,acetic acid, iodo-, ethyl ester,ethyl monoiodoacetate,iodoacetic acid, ethyl ester,acetic acid, 2-iodo-, ethyl ester,ethylester kyseliny jodoctove czech,acetic acid, 2-iodo-,ethyl ester,ethylester kyseliny jodoctove,ethyliodoacetate,iodoacetic acid ethyl
IUPAC Name	ethyl 2-iodoacetate
InChI Key	MFFXVVHUKRKXCI-UHFFFAOYSA-N
Molecular Formula	C4H7IO2

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Chloroacetic anhydride, 97%

CAS: 541-88-8 Molecular Formula: C4H4Cl2O3 Molecular Weight (g/mol): 170.97 MDL Number: MFCD00000929 InChI Key: PNVPNXKRAUBJGW-UHFFFAOYSA-N Synonym: chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f PubChem CID: 10946 IUPAC Name: (2-chloroacetyl) 2-chloroacetate SMILES: ClCC(=O)OC(=O)CCl

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Specifications

PubChem CID	10946
CAS	541-88-8
Molecular Weight (g/mol)	170.97
MDL Number	MFCD00000929
SMILES	ClCC(=O)OC(=O)CCl
Synonym	chloroacetic anhydride,chloracetic anhydride,monochloroacetic acid anhydride,2-chloroacetic anhydride,chloroacetic acid anhydride,chloroacetyl anhydride,acetic acid, chloro-, anhydride,unii-8q7txh7r5f,monochloroacetic anhydride,8q7txh7r5f
IUPAC Name	(2-chloroacetyl) 2-chloroacetate
InChI Key	PNVPNXKRAUBJGW-UHFFFAOYSA-N
Molecular Formula	C4H4Cl2O3

chlorodifluoroacetic acid sodium salt, 96%

CAS: 1895-39-2 Molecular Formula: C₂ClF₂NaO₂ Molecular Weight (g/mol): 152.46 MDL Number: MFCD00064771 InChI Key: MRTAVLDNYYEJHK-UHFFFAOYSA-M Synonym: sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium PubChem CID: 2734985 IUPAC Name: sodium;2-chloro-2,2-difluoroacetate SMILES: C(=O)(C(F)(F)Cl)[O-].[Na+]

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Specifications

PubChem CID	2734985
CAS	1895-39-2
Molecular Weight (g/mol)	152.46
MDL Number	MFCD00064771
SMILES	C(=O)(C(F)(F)Cl)[O-].[Na+]
Synonym	sodium chlorodifluoroacetate,sodium 2-chloro-2,2-difluoroacetate,chlorodifluoroacetic acid sodium salt,sodium chloro difluoro acetate,acetic acid, chlorodifluoro-, sodium salt,sodiumchlorodifluoroacetate,difluorochloroacetic acid sodium salt,sodium difluorochloroacetate,chlorodifluoroacetic acid sodium
IUPAC Name	sodium;2-chloro-2,2-difluoroacetate
InChI Key	MRTAVLDNYYEJHK-UHFFFAOYSA-M
Molecular Formula	C₂ClF₂NaO₂

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Ethyl bromodifluoroacetate, 98%

CAS: 667-27-6 Molecular Formula: C₄H₅BrF₂O₂ Molecular Weight (g/mol): 202.99 MDL Number: MFCD00042069 InChI Key: IRSJDVYTJUCXRV-UHFFFAOYSA-N Synonym: ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953 PubChem CID: 69585 IUPAC Name: ethyl 2-bromo-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Br

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Specifications

PubChem CID	69585
CAS	667-27-6
Molecular Weight (g/mol)	202.99
MDL Number	MFCD00042069
SMILES	CCOC(=O)C(F)(F)Br
Synonym	ethyl bromodifluoroacetate,ethylbromodifluoroacetate,bromodifluoroacetic acid ethyl ester,acetic acid, bromodifluoro-, ethyl ester,ethyl difluorobromoacetate,ethyl 2-bromo-2,2-difluoro-acetate,2-bromo-2,2-difluoro-1-ethoxyethan-1-one,2-bromo-2,2-difluoro-1-ethoxy-1-oxoethane,ethylbrom difluor acetat,pubchem16953
IUPAC Name	ethyl 2-bromo-2,2-difluoroacetate
InChI Key	IRSJDVYTJUCXRV-UHFFFAOYSA-N
Molecular Formula	C₄H₅BrF₂O₂

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Ethyl bromofluoroacetate, 97%

CAS: 401-55-8 Molecular Formula: C4H6BrFO2 Molecular Weight (g/mol): 184.992 MDL Number: MFCD00042095 InChI Key: ULNDTPIRBQGESN-UHFFFAOYSA-N Synonym: ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t PubChem CID: 2733407 IUPAC Name: ethyl 2-bromo-2-fluoroacetate SMILES: CCOC(=O)C(F)Br

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Specifications

PubChem CID	2733407
CAS	401-55-8
Molecular Weight (g/mol)	184.992
MDL Number	MFCD00042095
SMILES	CCOC(=O)C(F)Br
Synonym	ethyl bromofluoroacetate,bromofluoroacetic acid ethyl ester,ethyl-2-bromofluoroacetate,ethylbromofluoroacetate,acetic acid, bromofluoro-, ethyl ester,bromofluoroacetate,ethyl fluorobromoacetate,acmc-209jb9,ksc236i3t
IUPAC Name	ethyl 2-bromo-2-fluoroacetate
InChI Key	ULNDTPIRBQGESN-UHFFFAOYSA-N
Molecular Formula	C4H6BrFO2

Mercury(II) trifluoroacetate, 98+%

CAS: 13257-51-7 Molecular Formula: C4F6HgO4 Molecular Weight (g/mol): 426.622 MDL Number: MFCD00013201 InChI Key: WMHOESUUCMEQMS-UHFFFAOYSA-L Synonym: mercury ii trifluoroacetate,mercury bis trifluoroacetate,mercury 2+ ditrifluoroacetate,mercury 2+ ; 2,2,2-trifluoroacetate,bis trifluoroacetato mercury,hg ococf3 2,hg o2ccf3 2,mercury bis-trifluoroacetate,mercury ii bis trifluoroacetate PubChem CID: 2723924 IUPAC Name: mercury(2+);2,2,2-trifluoroacetate SMILES: C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Hg+2]

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Specifications

PubChem CID	2723924
CAS	13257-51-7
Molecular Weight (g/mol)	426.622
MDL Number	MFCD00013201
SMILES	C(=O)(C(F)(F)F)[O-].C(=O)(C(F)(F)F)[O-].[Hg+2]
Synonym	mercury ii trifluoroacetate,mercury bis trifluoroacetate,mercury 2+ ditrifluoroacetate,mercury 2+ ; 2,2,2-trifluoroacetate,bis trifluoroacetato mercury,hg ococf3 2,hg o2ccf3 2,mercury bis-trifluoroacetate,mercury ii bis trifluoroacetate
IUPAC Name	mercury(2+);2,2,2-trifluoroacetate
InChI Key	WMHOESUUCMEQMS-UHFFFAOYSA-L
Molecular Formula	C4F6HgO4

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(S)-(-)-2-Chloropropionic acid, 98%

CAS: 29617-66-1 Molecular Formula: C3H4ClO2 Molecular Weight (g/mol): 107.51 MDL Number: MFCD00064205 InChI Key: GAWAYYRQGQZKCR-REOHCLBHSA-M Synonym: s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid PubChem CID: 107915 ChEBI: CHEBI:73956 IUPAC Name: (2S)-2-chloropropanoic acid SMILES: C[C@H](Cl)C([O-])=O

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Specifications

PubChem CID	107915
CAS	29617-66-1
Molecular Weight (g/mol)	107.51
ChEBI	CHEBI:73956
MDL Number	MFCD00064205
SMILES	C[C@H](Cl)C([O-])=O
Synonym	s---2-chloropropionic acid,s-2-chloropropanoic acid,s-2-chloropropionic acid,2s-2-chloropropanoic acid,l-2-chloropropanoic acid,l-2-chloropropionic acid,alpha-l-chloropropionic acid,unii-pcc7j322cm,2s-chloropropanoic acid,2 s-chloropropionic acid
IUPAC Name	(2S)-2-chloropropanoic acid
InChI Key	GAWAYYRQGQZKCR-REOHCLBHSA-M
Molecular Formula	C3H4ClO2

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Ethyl oxalyl chloride, 98%

CAS: 4755-77-5 Molecular Formula: C₄H₅ClO₃ Molecular Weight (g/mol): 136.53 MDL Number: MFCD00000706 InChI Key: OWZFULPEVHKEKS-UHFFFAOYSA-N Synonym: ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate PubChem CID: 20884 IUPAC Name: ethyl 2-chloro-2-oxoacetate SMILES: CCOC(=O)C(=O)Cl

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Specifications

PubChem CID	20884
CAS	4755-77-5
Molecular Weight (g/mol)	136.53
MDL Number	MFCD00000706
SMILES	CCOC(=O)C(=O)Cl
Synonym	ethyl chlorooxoacetate,ethyl oxalyl chloride,ethyl chloroglyoxylate,ethoxalyl chloride,ethyl oxalyl monochloride,acetic acid, chlorooxo-, ethyl ester,oxalic acid monoethyl ester chloride,monoethyl oxaloyl chloride,oxalyl chloride, ethyl ester,ethyl chlorocarbonyl formate
IUPAC Name	ethyl 2-chloro-2-oxoacetate
InChI Key	OWZFULPEVHKEKS-UHFFFAOYSA-N
Molecular Formula	C₄H₅ClO₃

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Diethyl bromomalonate, 90+%

CAS: 685-87-0 Molecular Formula: C₇H₁₁BrO₄ Molecular Weight (g/mol): 239.07 MDL Number: MFCD00009138 InChI Key: FNJVDWXUKLTFFL-UHFFFAOYSA-N Synonym: diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester PubChem CID: 69637 IUPAC Name: diethyl 2-bromopropanedioate SMILES: CCOC(=O)C(C(=O)OCC)Br

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PubChem CID	69637
CAS	685-87-0
Molecular Weight (g/mol)	239.07
MDL Number	MFCD00009138
SMILES	CCOC(=O)C(C(=O)OCC)Br
Synonym	diethyl bromomalonate,diethyl 2-bromomalonate,bromomalonic acid diethyl ester,ethyl bromomalonate,diethylbromomalonate,propanedioic acid, bromo-, diethyl ester,1,3-diethyl 2-bromopropanedioate,diethyl bromopropanedioate,malonic acid, bromo-, diethyl ester,propanedioic acid, 2-bromo-, 1,3-diethyl ester
IUPAC Name	diethyl 2-bromopropanedioate
InChI Key	FNJVDWXUKLTFFL-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁BrO₄

Isopropyl 2-bromo-2-methylpropanoate, 97%, Thermo Scientific™

CAS: 51368-55-9 Molecular Formula: C7H13BrO2 Molecular Weight (g/mol): 209.08 MDL Number: MFCD00055235 InChI Key: UNZJYKKJZGIFCG-UHFFFAOYSA-N Synonym: isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester PubChem CID: 2796293 IUPAC Name: propan-2-yl 2-bromo-2-methylpropanoate SMILES: CC(C)OC(=O)C(C)(C)Br

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Specifications

PubChem CID	2796293
CAS	51368-55-9
Molecular Weight (g/mol)	209.08
MDL Number	MFCD00055235
SMILES	CC(C)OC(=O)C(C)(C)Br
Synonym	isopropyl 2-bromo-2-methylpropanoate,isopropyl 2-bromo-2-methylpropionate,2-bromo-2-methylpropionic acid isopropyl ester,isopropyl 2-bromoisobutyrate,propanoic acid, 2-bromo-2-methyl-, 1-methylethyl ester,isopropyl 2-bromo-2-methyl-propanoate,methylethyl 2-bromo-2-methylpropanoate,2-bromo-iso-butyric acid isopropyl ester,propan-2-yl 2-bromanyl-2-methyl-propanoate,2-bromoisobutyric acid isopropyl ester
IUPAC Name	propan-2-yl 2-bromo-2-methylpropanoate
InChI Key	UNZJYKKJZGIFCG-UHFFFAOYSA-N
Molecular Formula	C7H13BrO2

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Ethyl chloroacetate, 99%

CAS: 105-39-5 MDL Number: MFCD00000932 InChI Key: VEUUMBGHMNQHGO-UHFFFAOYSA-N Synonym: ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf PubChem CID: 7751 IUPAC Name: ethyl 2-chloroacetate SMILES: CCOC(=O)CCl

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Specifications

PubChem CID	7751
CAS	105-39-5
MDL Number	MFCD00000932
SMILES	CCOC(=O)CCl
Synonym	ethyl chloroacetate,ethyl chloracetate,ethyl monochloroacetate,acetic acid, chloro-, ethyl ester,chloroacetic acid ethyl ester,ethyl monochloracetate,ethyl chloroethanoate,ethyl alpha-chloroacetate,2-chloroacetic acid ethyl ester,unii-6h07teh4tf
IUPAC Name	ethyl 2-chloroacetate
InChI Key	VEUUMBGHMNQHGO-UHFFFAOYSA-N

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3H-Tetrafluoropropionic acid, 97%

CAS: 756-09-2 Molecular Formula: C3H2F4O2 Molecular Weight (g/mol): 146.041 MDL Number: MFCD00054686 InChI Key: PXRROZVNOOEPPZ-UHFFFAOYSA-N Synonym: flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa PubChem CID: 69789 ChEBI: CHEBI:82013 IUPAC Name: 2,2,3,3-tetrafluoropropanoic acid SMILES: C(C(C(=O)O)(F)F)(F)F

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Specifications

PubChem CID	69789
CAS	756-09-2
Molecular Weight (g/mol)	146.041
ChEBI	CHEBI:82013
MDL Number	MFCD00054686
SMILES	C(C(C(=O)O)(F)F)(F)F
Synonym	flupropanate,3h-tetrafluoropropionic acid,2,2,3,3-tetrafluoropropionic acid,unii-376ks3j2q6,propanoic acid, 2,2,3,3-tetrafluoro,flupropanate iso,tetrafluoropropionic acid,pxrrozvnooeppz-uhfffaoysa
IUPAC Name	2,2,3,3-tetrafluoropropanoic acid
InChI Key	PXRROZVNOOEPPZ-UHFFFAOYSA-N
Molecular Formula	C3H2F4O2

Bromoacetic acid, 98+%

CAS: 79-08-3 Molecular Formula: C₂H₃BrO₂ Molecular Weight (g/mol): 138.95 MDL Number: MFCD00002678 InChI Key: KDPAWGWELVVRCH-UHFFFAOYSA-N Synonym: bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo PubChem CID: 6227 IUPAC Name: 2-bromoacetic acid SMILES: C(C(=O)O)Br

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Specifications

PubChem CID	6227
CAS	79-08-3
Molecular Weight (g/mol)	138.95
MDL Number	MFCD00002678
SMILES	C(C(=O)O)Br
Synonym	bromoacetic acid,monobromoacetic acid,bromoethanoic acid,acetic acid, bromo,to ntu,bromoacetate ion,acide bromacetique,2-bromoacetyl group,2-bromoethanoic acid,acetic acid, 2-bromo
IUPAC Name	2-bromoacetic acid
InChI Key	KDPAWGWELVVRCH-UHFFFAOYSA-N
Molecular Formula	C₂H₃BrO₂

Chloroacetic acid sodium salt, 98%

CAS: 3926-62-3 Molecular Formula: C₂H₂ClNaO₂ Molecular Weight (g/mol): 116.48 MDL Number: MFCD00002684 InChI Key: FDRCDNZGSXJAFP-UHFFFAOYSA-M Synonym: sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech PubChem CID: 23665759 IUPAC Name: sodium;2-chloroacetate SMILES: C(C(=O)[O-])Cl.[Na+]

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Specifications

PubChem CID	23665759
CAS	3926-62-3
Molecular Weight (g/mol)	116.48
MDL Number	MFCD00002684
SMILES	C(C(=O)[O-])Cl.[Na+]
Synonym	sodium chloroacetate,chloroacetic acid sodium salt,monoxone,acetic acid, chloro-, sodium salt,dow defoliant,sodium monochloroacetate,smca,sodium monochloracetate,caswell no. 755a,chloroctan sodny czech
IUPAC Name	sodium;2-chloroacetate
InChI Key	FDRCDNZGSXJAFP-UHFFFAOYSA-M
Molecular Formula	C₂H₂ClNaO₂

Alpha-halocarboxylic acids and derivatives

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