AG0001RZ

1003709-54-3 | Benzoic acid, 2-bromo-5-fluoro-4-methyl-

AG0001RZ

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CAS Number	1003709-54-3
Catalog Number	AG0001RZ(AGN-PC-0WAZZ7)
Chemical Name	Benzoic acid, 2-bromo-5-fluoro-4-methyl-
IUPAC Name	2-bromo-5-fluoro-4-methylbenzoic acid
InChI	InChI=1S/C8H6BrFO2/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3H,1H3,(H,11,12)
InChI Key	WFPYJWBPQCXYCJ-UHFFFAOYSA-N
MDL Number	MFCD09263436
Molecular Formula	C8H6BrFO2
Molecular Weight	233.0344
SMILES	O=C(O)C1=CC(F)=C(C)C=C1Br
Synonyms	2-BROMO-5-FLUORO-4-METHYLBENZOIC ACID, 1003709-54-3, PubChem1364, SCHEMBL851686, CTK7I6958, DTXSID60662784, MFCD09263436, ZINC39953644, 2-Bromo-5-fluoro-4-methylbenzoicacid, AKOS022171901, CM12508, GS-5522, LS10526, XF10084, KS-0000262Z, Benzoicacid,2-bromo-5-fluoro-4-methyl-, AK136436, BC002150, SC-77470, AJ-101355, Benzoic acid, 2-bromo-5-fluoro-4-methyl-, DB-058373, CS-0034104, FT-0767757, X4313, 2-Bromo-5-fluoro-4-methylbenzoic acid, AldrichCPR, C8H6BrFO2, S-7950, 1003709-39-4,

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

Lot Number