AG007S87

111773-24-1 | Ethyl 3-bromo-2,2-difluoropropanoate

AG007S87

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CAS Number	111773-24-1
Catalog Number	AG007S87(AGN-PC-00021Z)
Chemical Name	Ethyl 3-bromo-2,2-difluoropropanoate
IUPAC Name	ethyl 3-bromo-2,2-difluoropropanoate
InChI	InChI=1S/C5H7BrF2O2/c1-2-10-4(9)5(7,8)3-6/h2-3H2,1H3
InChI Key	PLIFTLNQZPFIPS-UHFFFAOYSA-N
MDL Number	MFCD15144891
Molecular Formula	C5H7BrF2O2
Molecular Weight	217.0087
SMILES	O=C(OCC)C(F)(F)CBr
Synonyms	Ethyl 3-bromo-2,2-difluoropropanoate, 111773-24-1, Ethyl 3-bromo-2,2-difluoropropionate, Propanoic acid, 3-bromo-2,2-difluoro-, ethyl ester, ACMC-20abj8, SCHEMBL9418568, CTK0D3507, DTXSID00553905, ANW-65874, ZINC34203419, AKOS016005639, FCH1327529, FS-5899, AJ-87425, AX8236545, DB-060125, TC-154619, FT-0751428, X0330, Propanoicacid,3-bromo-2,2-difluoro-,ethylester, Ethyl 3-bromo-2,2-difluoropropionate, >=95.0%, C5H7BrF2O2, 1H-1,2,4-TRIAZOLE,5-CHLORO-1-ETHYL-(9CI), 63520-39-8,

Complexity	127
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.96g/mol
Formal Charge	0
Heavy Atom Count	10
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	217.01g/mol
Monoisotopic Mass	215.96g/mol
Rotatable Bond Count	4
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	1.5

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	3
Hazard statements	H226-H301-H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P301+P310-P305+P351+P338
UN Code	UN 3272

Certificate of Analysis

Lot Number