AG00HWL4

1427382-02-2 | 5-bromo-2-fluoro-3-methyl-benzoic acid

AG00HWL4

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CAS Number	1427382-02-2
Catalog Number	AG00HWL4(AGN-PC-0WALCH)
Chemical Name	5-bromo-2-fluoro-3-methyl-benzoic acid
IUPAC Name	5-bromo-2-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-2-5(9)3-6(7(4)10)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	PASLKUKYXZAJOF-UHFFFAOYSA-N
MDL Number	MFCD23712061
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=C(O)C1=CC(Br)=CC(C)=C1F
Synonyms	5-Bromo-2-fluoro-3-methylbenzoic acid, 1427382-02-2, 5-bromo-2-fluoro-3-methyl-benzoic acid, SCHEMBL14784449, PASLKUKYXZAJOF-UHFFFAOYSA-N, MFCD23712061, ZINC75852036, AKOS020056243, AS-43084,

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

Certificate of Analysis

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