AG00140S

1378875-92-3 | Benzoic acid, 3-bromo-2,6-difluoro-, methyl ester

AG00140S

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CAS Number	1378875-92-3
Catalog Number	AG00140S(AGN-PC-0WAJFI)
Chemical Name	Benzoic acid, 3-bromo-2,6-difluoro-, methyl ester
IUPAC Name	methyl 3-bromo-2,6-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)6-5(10)3-2-4(9)7(6)11/h2-3H,1H3
InChI Key	FDVRSJQCIUFAKY-UHFFFAOYSA-N
MDL Number	MFCD09951948
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	O=C(OC)C1=C(F)C=CC(Br)=C1F
Synonyms	Methyl 3-bromo-2,6-difluorobenzoate, 1378875-92-3, SCHEMBL20639296, MFCD09951948, ZINC75852215, AKOS017556366, KS-0000245G, AB0042296, Z0164, Q-7957, Benzoic acid, 3-bromo-2,6-difluoro-, methyl ester, C8H5BrF2O2, CS-4082, methyl 3-bromo-2,6-difluorobenzoate, 95% - 1G 1g,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.944g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.027g/mol
Monoisotopic Mass	249.944g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H320-H335
Packing Group
Precautionary statements	P264-P270-P301+P312-P330
UN Code

Certificate of Analysis

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