AG0022AC

1807244-07-0 | Benzoic acid, 4-bromo-2,3-difluoro-, methyl ester

AG0022AC

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CAS Number	1807244-07-0
Catalog Number	AG0022AC(AGN-PC-0WCP3Y)
Chemical Name	Benzoic acid, 4-bromo-2,3-difluoro-, methyl ester
IUPAC Name	methyl 4-bromo-2,3-difluorobenzoate
InChI	InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-3-5(9)7(11)6(4)10/h2-3H,1H3
InChI Key	QHVUOZGYQHNVAX-UHFFFAOYSA-N
MDL Number	MFCD27578309
Molecular Formula	C8H5BrF2O2
Molecular Weight	251.0249
SMILES	O=C(OC)C1=CC=C(Br)C(F)=C1F
Synonyms	Methyl 4-bromo-2,3-difluorobenzoate, 1807244-07-0, SCHEMBL17128958, QHVUOZGYQHNVAX-UHFFFAOYSA-N, ZINC97756780, AKOS027421478, PS-10106, METHYL4-BROMO-2,3-DIFLUOROBENZOATE, CS-0105524, Benzoic acid, 4-bromo-2,3-difluoro-, methyl ester, Z2687190963,

Complexity	201
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	249.9441g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	251.02g/mol
Monoisotopic Mass	249.9441g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	26.3Ų
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-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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