AG00658Z

95383-26-9 | 5-Bromo-4-fluoro-2-methoxybenzoic acid

AG00658Z

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CAS Number	95383-26-9
Catalog Number	AG00658Z(AGN-PC-01WGE4)
Chemical Name	5-Bromo-4-fluoro-2-methoxybenzoic acid
IUPAC Name	5-bromo-4-fluoro-2-methoxybenzoic acid
InChI	InChI=1S/C8H6BrFO3/c1-13-7-3-6(10)5(9)2-4(7)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	OQXNSLHCYIUEDO-UHFFFAOYSA-N
MDL Number	MFCD15527529
Molecular Formula	C8H6BrFO3
Molecular Weight	249.0338
SMILES	c1(c(cc(c(c1)C(=O)O)OC)F)Br
Synonyms	5-BROMO-4-FLUORO-2-METHOXYBENZOIC ACID, 95383-26-9, Benzoic acid, 5-bromo-4-fluoro-2-methoxy-, AK120124, 5-BROMO-4-FLORO-2-METHOXYBENZOIC ACID, ACMC-20lzr5, SCHEMBL4600091, CTK3F3851, DTXSID80594139, OQXNSLHCYIUEDO-UHFFFAOYSA-N, 6422AC, MFCD15527529, ZINC91297309, DS-6155, FCH1391166, 5-Bromo-4-fluoro-2-methoxy-benzoic acid, BBV-40267273, AJ-129375, AX8245540, C8H6BrFO3, 5-Bromo-4-fluoro-2-methoxybenzoicacid,

Complexity	200
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	247.948g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	249.035g/mol
Monoisotopic Mass	247.948g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	46.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number