AG0039QC

194804-90-5 | 4-Bromo-2-fluoro-3-methylbenzoic acid

AG0039QC

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CAS Number	194804-90-5
Catalog Number	AG0039QC(AGN-PC-02C2AK)
Chemical Name	4-Bromo-2-fluoro-3-methylbenzoic acid
IUPAC Name	4-bromo-2-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-6(9)3-2-5(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	PIMDCUNZRUXGME-UHFFFAOYSA-N
MDL Number	MFCD22052783
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	BrC1=C(C(=C(C(=O)O)C=C1)F)C
Synonyms	4-Bromo-2-fluoro-3-methylbenzoic acid, 194804-90-5, SCHEMBL206341, KS-00000SNW, PIMDCUNZRUXGME-UHFFFAOYSA-N, MFCD22052783, ZINC98209961, AKOS024462739, DS-7936, NE51832, AK162975, Benzoic acid, 4-bromo-2-fluoro-3-methyl-, CS-0041782, Z1945700437, methyl 4-bromo-2-fluoro-3-methylbenzoate,

Complexity	186
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	231.954g/mol
Formal Charge	0
Heavy Atom Count	12
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	233.036g/mol
Monoisotopic Mass	231.954g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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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