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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2,2,2-Trifluoroethyl trifluoroacetate, 97+%, Thermo Scientific Chemicals

CAS: 407-38-5 Molecular Formula: C4H2F6O2 Molecular Weight (g/mol): 196.05 MDL Number: MFCD00000418 InChI Key: ZKUJOCJJXCPCFS-UHFFFAOYSA-N Synonym: 2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate PubChem CID: 67888 IUPAC Name: 2,2,2-trifluoroethyl 2,2,2-trifluoroacetate SMILES: FC(F)(F)COC(=O)C(F)(F)F

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PubChem CID	67888
CAS	407-38-5
Molecular Weight (g/mol)	196.05
MDL Number	MFCD00000418
SMILES	FC(F)(F)COC(=O)C(F)(F)F
Synonym	2,2,2-trifluoroethyl trifluoroacetate,acetic acid, trifluoro-, 2,2,2-trifluoroethyl ester,trifluoroacetic acid 2,2,2-trifluoroethyl ester,2,2,2-trifluoroethyltrifluoroacetate,pubchem12623,acmc-1ake7,cf3co2ch2cf3,cf3c o och2cf3,ksc496e0r,trifluoroethyl trifluoroacetate
IUPAC Name	2,2,2-trifluoroethyl 2,2,2-trifluoroacetate
InChI Key	ZKUJOCJJXCPCFS-UHFFFAOYSA-N
Molecular Formula	C4H2F6O2

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Diethyl 2-bromo-2-methylmalonate, 98%

CAS: 29263-94-3 Molecular Formula: C8H13BrO4 Molecular Weight (g/mol): 253.09 MDL Number: MFCD00009125 InChI Key: CSLQAXTUGPUBCW-UHFFFAOYSA-N Synonym: diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate PubChem CID: 94944 IUPAC Name: diethyl 2-bromo-2-methylpropanedioate SMILES: CCOC(=O)C(C)(Br)C(=O)OCC

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PubChem CID	94944
CAS	29263-94-3
Molecular Weight (g/mol)	253.09
MDL Number	MFCD00009125
SMILES	CCOC(=O)C(C)(Br)C(=O)OCC
Synonym	diethyl 2-bromo-2-methylmalonate,diethyl bromomethylmalonate,diethyl methylbromomalonate,2-bromo-2-methylmalonic acid diethyl ester,1,3-diethyl 2-bromo-2-methylpropanedioate,2-bromo-2-methylpropandioic acid diethyl ester,diethyl bromo methyl malonate,acmc-20al99,cslqaxtugpubcw-uhfffaoysa,diethyl-2-bromo-2-methyl-malonate
IUPAC Name	diethyl 2-bromo-2-methylpropanedioate
InChI Key	CSLQAXTUGPUBCW-UHFFFAOYSA-N
Molecular Formula	C8H13BrO4

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Ethyl alpha-bromophenylacetate, 97%

CAS: 2882-19-1 Molecular Formula: C10H11BrO2 Molecular Weight (g/mol): 243.10 MDL Number: MFCD00013536 InChI Key: BKTKLDMYHTUESO-UHFFFAOYNA-N Synonym: ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate PubChem CID: 97780 IUPAC Name: ethyl 2-bromo-2-phenylacetate SMILES: CCOC(=O)C(Br)C1=CC=CC=C1

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Specifications

PubChem CID	97780
CAS	2882-19-1
Molecular Weight (g/mol)	243.10
MDL Number	MFCD00013536
SMILES	CCOC(=O)C(Br)C1=CC=CC=C1
Synonym	ethyl alpha-bromophenylacetate,ethyl bromophenylacetate,ethyl bromo phenyl acetate,ethyl-alpha-bromophenyl acetate,ethyl-.alpha.-bromophenyl acetate,benzeneacetic acid, .alpha.-bromo-, ethyl ester,bromo-phenyl-acetic acid ethyl ester,benzeneacetic acid, alpha-bromo-, ethyl ester,eyr&vo2,ethylbromo phenyl acetate
IUPAC Name	ethyl 2-bromo-2-phenylacetate
InChI Key	BKTKLDMYHTUESO-UHFFFAOYNA-N
Molecular Formula	C10H11BrO2

Sodium chlorodifluoroacetate, 97%

CAS: 1895-39-2 Molecular Formula: C2ClF2NaO2 Molecular Weight (g/mol): 152.457 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)	152.457
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 chlorodifluoroacetate, 98%

CAS: 383-62-0 Molecular Formula: C4H5ClF2O2 Molecular Weight (g/mol): 158.529 MDL Number: MFCD00013662 InChI Key: GVCAWQUJCHZRCB-UHFFFAOYSA-N Synonym: ethyl chlorodifluoroacetate,chlorodifluoroacetic acid ethyl ester,ethyl chlorodifluoroethanoate,acetic acid, chlorodifluoro-, ethyl ester,ethylchlorodifluoroacetate,acetic acid, 2-chloro-2,2-difluoro-, ethyl ester,ethyl 2-chloro-2,2-difluoro-acetate,pubchem12573,ethyl chlordifluoroacetate,acmc-1cr8n PubChem CID: 67843 IUPAC Name: ethyl 2-chloro-2,2-difluoroacetate SMILES: CCOC(=O)C(F)(F)Cl

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Specifications

PubChem CID	67843
CAS	383-62-0
Molecular Weight (g/mol)	158.529
MDL Number	MFCD00013662
SMILES	CCOC(=O)C(F)(F)Cl
Synonym	ethyl chlorodifluoroacetate,chlorodifluoroacetic acid ethyl ester,ethyl chlorodifluoroethanoate,acetic acid, chlorodifluoro-, ethyl ester,ethylchlorodifluoroacetate,acetic acid, 2-chloro-2,2-difluoro-, ethyl ester,ethyl 2-chloro-2,2-difluoro-acetate,pubchem12573,ethyl chlordifluoroacetate,acmc-1cr8n
IUPAC Name	ethyl 2-chloro-2,2-difluoroacetate
InChI Key	GVCAWQUJCHZRCB-UHFFFAOYSA-N
Molecular Formula	C4H5ClF2O2

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Isopropyl trifluoroacetate, 97%

CAS: 400-38-4 Molecular Formula: C5H7F3O2 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00013566 InChI Key: ASAXRKSDVDALDT-UHFFFAOYSA-N Synonym: isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate PubChem CID: 78998 IUPAC Name: propan-2-yl 2,2,2-trifluoroacetate SMILES: CC(C)OC(=O)C(F)(F)F

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Specifications

PubChem CID	78998
CAS	400-38-4
Molecular Weight (g/mol)	156.10
MDL Number	MFCD00013566
SMILES	CC(C)OC(=O)C(F)(F)F
Synonym	isopropyl trifluoroacetate,isopropyltrifluoroacetate,isopropyl 2,2,2-trifluoroacetate,acetic acid, trifluoro-, 1-methylethyl ester,iso-propyl trifluoroacetate,trifluoroacetic acid isopropyl ester,pubchem12590,acmc-1ctsh,methylethyl 2,2,2-trifluoroacetate
IUPAC Name	propan-2-yl 2,2,2-trifluoroacetate
InChI Key	ASAXRKSDVDALDT-UHFFFAOYSA-N
Molecular Formula	C5H7F3O2

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Isopropyl chloroacetate, 99%

CAS: 105-48-6 Molecular Formula: C5H9ClO2 Molecular Weight (g/mol): 136.58 MDL Number: MFCD00040410 InChI Key: VODRWDBLLGYRJT-UHFFFAOYSA-N Synonym: isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester PubChem CID: 7759 IUPAC Name: propan-2-yl 2-chloroacetate SMILES: CC(C)OC(=O)CCl

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Specifications

PubChem CID	7759
CAS	105-48-6
Molecular Weight (g/mol)	136.58
MDL Number	MFCD00040410
SMILES	CC(C)OC(=O)CCl
Synonym	isopropyl chloroacetate,chloroacetic acid isopropyl ester,acetic acid, chloro-, 1-methylethyl ester,iso-propyl chloroacetate,clch2c o och ch3 2,ccris 7748,acetic acid, chloro-, isopropyl ester,acetic acid, 2-chloro-, 1-methylethyl ester,chloroacetic acid, 1-methyl ester,monochloroacetic acid isopropyl ester
IUPAC Name	propan-2-yl 2-chloroacetate
InChI Key	VODRWDBLLGYRJT-UHFFFAOYSA-N
Molecular Formula	C5H9ClO2

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2,2-Difluoropropionic acid, 97%, Thermo Scientific Chemicals

CAS: 373-96-6 Molecular Formula: C3H4F2O2 Molecular Weight (g/mol): 110.06 MDL Number: MFCD03093764 InChI Key: PMWGIVRHUIAIII-UHFFFAOYSA-N Synonym: 2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid PubChem CID: 2782825 IUPAC Name: 2,2-difluoropropanoic acid SMILES: CC(F)(F)C(O)=O

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Specifications

PubChem CID	2782825
CAS	373-96-6
Molecular Weight (g/mol)	110.06
MDL Number	MFCD03093764
SMILES	CC(F)(F)C(O)=O
Synonym	2,2-difluoropropionic acid,2,2-difluoropropionicacid,2,2-difluoro-propionic acid,propanoic acid, 2,2-difluoro,acmc-1ctsu,2,2-difluorpropionic acid
IUPAC Name	2,2-difluoropropanoic acid
InChI Key	PMWGIVRHUIAIII-UHFFFAOYSA-N
Molecular Formula	C3H4F2O2

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Ethyl bromodifluoroacetate, 97%

CAS: 667-27-6 Molecular Formula: C4H5BrF2O2 Molecular Weight (g/mol): 202.983 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)	202.983
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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Allyl chloroacetate, 98%

CAS: 2916-14-5 Molecular Formula: C5H7ClO2 Molecular Weight (g/mol): 134.559 MDL Number: MFCD00058936 InChI Key: VMBJJCDVORDOCF-UHFFFAOYSA-N Synonym: allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester PubChem CID: 76206 IUPAC Name: prop-2-enyl 2-chloroacetate SMILES: C=CCOC(=O)CCl

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Specifications

PubChem CID	76206
CAS	2916-14-5
Molecular Weight (g/mol)	134.559
MDL Number	MFCD00058936
SMILES	C=CCOC(=O)CCl
Synonym	allyl chloroacetate,allyl 2-chloroacetate,chloroacetic acid allyl ester,acetic acid, chloro-, 2-propenyl ester,prop-2-en-1-yl 2-chloroacetate,acetic acid, chloro-, allyl ester,allyl monochloroacetate,acmc-1cffa,chloroacetic acid,2-propenyl ester
IUPAC Name	prop-2-enyl 2-chloroacetate
InChI Key	VMBJJCDVORDOCF-UHFFFAOYSA-N
Molecular Formula	C5H7ClO2

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tert-Butyl 2-bromoisobutyrate, 97%

CAS: 23877-12-5 Molecular Formula: C8H15BrO2 Molecular Weight (g/mol): 223.11 MDL Number: MFCD00051908 InChI Key: IGVNJALYNQVQIT-UHFFFAOYSA-N PubChem CID: 90290 IUPAC Name: tert-butyl 2-bromo-2-methylpropanoate SMILES: CC(C)(C)OC(=O)C(C)(C)Br

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Specifications

PubChem CID	90290
CAS	23877-12-5
Molecular Weight (g/mol)	223.11
MDL Number	MFCD00051908
SMILES	CC(C)(C)OC(=O)C(C)(C)Br
IUPAC Name	tert-butyl 2-bromo-2-methylpropanoate
InChI Key	IGVNJALYNQVQIT-UHFFFAOYSA-N
Molecular Formula	C8H15BrO2

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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

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Diisopropylamine dichloroacetate, 95%, Thermo Scientific Chemicals

CAS: 660-27-5 Molecular Formula: C8H17Cl2NO2 Molecular Weight (g/mol): 230.13 MDL Number: MFCD00868288 InChI Key: ILKBHIBYKSHTKQ-UHFFFAOYSA-N Synonym: diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam PubChem CID: 12617 IUPAC Name: 2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine SMILES: OC(=O)C(Cl)Cl.CC(C)NC(C)C

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Specifications

PubChem CID	12617
CAS	660-27-5
Molecular Weight (g/mol)	230.13
MDL Number	MFCD00868288
SMILES	OC(=O)C(Cl)Cl.CC(C)NC(C)C
Synonym	diisopropylamine dichloroacetate,diisopropylammonium dichloroacetate,diisopropylamine 2,2-dichloroacetate,vasculopatina,dipromonium,cubisol,dapocel,disotat,kalodil,oxypangam
IUPAC Name	2,2-dichloroacetic acid;N-propan-2-ylpropan-2-amine
InChI Key	ILKBHIBYKSHTKQ-UHFFFAOYSA-N
Molecular Formula	C8H17Cl2NO2

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Ethyl 1-bromocyclobutanecarboxylate, 96%

CAS: 35120-18-4 Molecular Formula: C₇H₁₁BrO₂ Molecular Weight (g/mol): 207.06 MDL Number: MFCD00001322 InChI Key: UTVNSHXHFRIXMM-UHFFFAOYSA-N Synonym: ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane PubChem CID: 97595 IUPAC Name: ethyl 1-bromocyclobutane-1-carboxylate SMILES: CCOC(=O)C1(CCC1)Br

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Specifications

PubChem CID	97595
CAS	35120-18-4
Molecular Weight (g/mol)	207.06
MDL Number	MFCD00001322
SMILES	CCOC(=O)C1(CCC1)Br
Synonym	ethyl 1-bromocyclobutanecarboxylate,ethyl alpha-bromocyclobutanecarboxylate,1-bromo-cyclobutanecarboxylic acid ethyl ester,cyclobutanecarboxylic acid, 1-bromo-, ethyl ester,1-bromocyclobutanecarboxylic acid ethyl ester,ethyl .alpha.-bromocyclobutanecarboxylate,acmc-1cswe,ethyl abromocyclobutanecarboxylate,ethyl-1-bromocyclobutanecarboxylate,1-ethoxycarbonyl-1-bromocyclobutane
IUPAC Name	ethyl 1-bromocyclobutane-1-carboxylate
InChI Key	UTVNSHXHFRIXMM-UHFFFAOYSA-N
Molecular Formula	C₇H₁₁BrO₂

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Ethyl dibromoacetate, 96%

CAS: 617-33-4 Molecular Formula: C4H6Br2O2 Molecular Weight (g/mol): 245.898 MDL Number: MFCD00041718 InChI Key: NIJGVVHCUXNSLL-UHFFFAOYSA-N Synonym: ethyl dibromoacetate,acetic acid, dibromo-, ethyl ester,dibromoacetic acid, ethyl ester,acetic acid, 2,2-dibromo-, ethyl ester,ethyldibromoacetate,ethyl dibromo acetate,acmc-20akxm,aceticacid,dibromo-,ethylester,dibromoacetic acid ethyl ester,dibromo-acetic acid ethyl ester PubChem CID: 69237 IUPAC Name: ethyl 2,2-dibromoacetate SMILES: CCOC(=O)C(Br)Br

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Specifications

PubChem CID	69237
CAS	617-33-4
Molecular Weight (g/mol)	245.898
MDL Number	MFCD00041718
SMILES	CCOC(=O)C(Br)Br
Synonym	ethyl dibromoacetate,acetic acid, dibromo-, ethyl ester,dibromoacetic acid, ethyl ester,acetic acid, 2,2-dibromo-, ethyl ester,ethyldibromoacetate,ethyl dibromo acetate,acmc-20akxm,aceticacid,dibromo-,ethylester,dibromoacetic acid ethyl ester,dibromo-acetic acid ethyl ester
IUPAC Name	ethyl 2,2-dibromoacetate
InChI Key	NIJGVVHCUXNSLL-UHFFFAOYSA-N
Molecular Formula	C4H6Br2O2

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