AG0080D5

1359857-60-5 | 2-Bromo-6-fluoro-3-methylbenzoic acid

AG0080D5

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CAS Number	1359857-60-5
Catalog Number	AG0080D5(AGN-PC-0WAJ9Q)
Chemical Name	2-Bromo-6-fluoro-3-methylbenzoic acid
IUPAC Name	2-bromo-6-fluoro-3-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-2-3-5(10)6(7(4)9)8(11)12/h2-3H,1H3,(H,11,12)
InChI Key	AKGJVRQAQBIZKL-UHFFFAOYSA-N
MDL Number	MFCD22383777
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=C(O)C1=C(F)C=CC(C)=C1Br
Synonyms	2-Bromo-6-fluoro-3-methylbenzoic acid, 1359857-60-5, ACMC-209c4w, SCHEMBL16095374, CTK8B0461, DTXSID50742827, ANW-19998, MFCD22383777, ZINC75914853, AM90045, 2-Bromo-6-fluoro-3-methyl-benzoic acid, AJ-122099, TC-108743, V2519, K-4335, Z1889917335, C8H6BrFO2,

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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