AG0025B6

177420-64-3 | Benzoic acid, 2-bromo-6-(trifluoromethyl)-

AG0025B6

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CAS Number	177420-64-3
Catalog Number	AG0025B6(AGN-PC-0LGFHI)
Chemical Name	Benzoic acid, 2-bromo-6-(trifluoromethyl)-
IUPAC Name	2-bromo-6-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-5-3-1-2-4(8(10,11)12)6(5)7(13)14/h1-3H,(H,13,14)
InChI Key	AZERNJLIPMDNFQ-UHFFFAOYSA-N
MDL Number	MFCD06253757
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=C(O)C1=C(C(F)(F)F)C=CC=C1Br
Synonyms	2-bromo-6-(trifluoromethyl)benzoic Acid, 177420-64-3, Benzoic acid, 2-bromo-6-(trifluoromethyl)-, AK-75724, 2-BROMO-6-TRIFLUOROMETHYLBENZOIC ACID, AC1NHBSD, ACMC-209ecq, SCHEMBL3374645, CTK0A7057, DTXSID30406157, 3-Bromo-2-carboxybenzotrifluoride, AZERNJLIPMDNFQ-UHFFFAOYSA-N, KS-00000P8M, ZX-AP002757, ANW-22872, CL8033, MFCD06253757, PC2856, ZINC16158707, AKOS003587361, FCH1378074, PS-7296, AJ-68573, SC-51377, AB0031029, AX8219042, RT-007490, CS-0060303, FT-0745938, ST24040175, X3350, 2-Bromo-6-(trifluoromethyl)benzoic acid 97%, K-5441, C8H4BrF3O2, CID4737630,

Complexity	229
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	267.935g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	269.017g/mol
Monoisotopic Mass	267.935g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

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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