AG003AA2

1349715-55-4 | 4-Bromo-5-fluoro-2-methylbenzoic acid

AG003AA2

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CAS Number	1349715-55-4
Catalog Number	AG003AA2(AGN-PC-09OU1Z)
Chemical Name	4-Bromo-5-fluoro-2-methylbenzoic acid
IUPAC Name	4-bromo-5-fluoro-2-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-2-6(9)7(10)3-5(4)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	ZIXRUMIXLQUGGN-UHFFFAOYSA-N
MDL Number	MFCD18917157
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	BrC1=CC(=C(C(=O)O)C=C1F)C
Synonyms	4-Bromo-5-fluoro-2-methylbenzoic acid, 1349715-55-4, SCHEMBL17786989, DTXSID40693213, KS-00000QZ0, MFCD18917157, ZINC67802609, AKOS016013034, DS-5064, AK126066, AJ-117056, ST2405641, 4CH-016850, 4-Bromo-5-fluoro-2-methylbenzoicacid,

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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