AG0025B7

177420-63-2 | Benzoic acid, 2-broMo-3-(trifluoroMethyl)-

AG0025B7

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CAS Number	177420-63-2
Catalog Number	AG0025B7(AGN-PC-00ONJW)
Chemical Name	Benzoic acid, 2-broMo-3-(trifluoroMethyl)-
IUPAC Name	2-bromo-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-6-4(7(13)14)2-1-3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	FIMDBAHLQCCYJK-UHFFFAOYSA-N
MDL Number	MFCD08532493
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=C(O)C1=CC=CC(C(F)(F)F)=C1Br
Synonyms	2-Bromo-3-(trifluoromethyl)benzoic acid, 177420-63-2, Benzoic acid, 2-bromo-3-(trifluoromethyl)-, MFCD08532493, SCHEMBL2479099, CTK7I8798, KS-00000IEG, DTXSID10570628, 2-Bromo-3-carboxybenzotrifluoride, FIMDBAHLQCCYJK-UHFFFAOYSA-N, ZX-AP002837, 2-Bromo-3-trifluoromethylbenzoicacid, ANW-53934, PC5274, ZINC16159336, AKOS016000237, AM62234, AS04691, FCH1389272, PS-7295, QC-7468, AJ-68655, AK-53646, AB0042410, AX8168193, TC-142679, CS-0041279, FT-0739152, ST24027804, Z0282, Q-8845, 2-bromo-3-(trifluoromethyl)benzoic acid, AldrichCPR, C8H4BrF3O2, (1-(5-CARBOXYPENTYL)-3,3-DIMETHYL-3H-INDOL-1-IUM-2-YL)METHANIDE HYDROBROMIDE,

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	6.1
Hazard statements	H315-H319-H335
Packing Group	Ⅲ
Precautionary statements	P261-P305+P351+P338
UN Code	UN 2811

Certificate of Analysis

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