AG00A05S

1379336-54-5 | Methyl 2-bromo-4,6-difluorobenzoate

AG00A05S

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CAS Number	1379336-54-5
Catalog Number	AG00A05S(AGN-PC-0WNWHL)
Chemical Name	Methyl 2-bromo-4,6-difluorobenzoate
IUPAC Name	methyl 2-bromo-4,6-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)7-5(9)2-4(10)3-6(7)11/h2-3H,1H3
InChI Key	GFYBACALZQKFBI-UHFFFAOYSA-N
MDL Number	MFCD18642939
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	BrC1=C(C(=O)OC)C(=CC(=C1)F)F
Synonyms	Methyl 2-bromo-4,6-difluorobenzoate, 1379336-54-5, SCHEMBL20231924, MFCD18642939, ZINC95630920, AKOS027251661, FCH1335746, PC501649, PS-10103, 2-Bromo-4,6-difluoro-benzoic acid methyl ester,

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	P261-P280-P301+P312-P302+P352-P305+P351+P338
UN Code

Certificate of Analysis

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