AG001VRH

161622-14-6 | Benzoic acid, 4-bromo-3-(trifluoromethyl)-

AG001VRH

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CAS Number	161622-14-6
Catalog Number	AG001VRH(AGN-PC-0Q82SI)
Chemical Name	Benzoic acid, 4-bromo-3-(trifluoromethyl)-
IUPAC Name	4-bromo-3-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-6-2-1-4(7(13)14)3-5(6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	GPBPFDPENZHCPR-UHFFFAOYSA-N
MDL Number	MFCD08459288
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	BrC1=C(C=C(C(=O)O)C=C1)C(F)(F)F
Synonyms	4-Bromo-3-(trifluoromethyl)benzoic acid, 161622-14-6, 1622-14-6, 2-Bromo-5-carboxybenzotrifluoride, 4-Bromo-3-trifluoromethylbenzoic acid, 4-Bromo-3-(trifluoromethyl)benzoicacid, MFCD08459288, 4-Bromo-3-trifluoromethyl-benzoic acid, benzoic acid, 4-bromo-3-(trifluoromethyl)-, PubChem4739, Intermediates-ZCF02222, KSC495E3H, SCHEMBL321273, Jsp003227, CTK3J5233, KS-00000CVK, GPBPFDPENZHCPR-UHFFFAOYSA-N, ACT05428, ANW-51216, CL8109, FC1108, SBB052699, ZINC16159884, AKOS005063764, AC-1521, AS00951, CB-1993, CM12553, CS-W008399, LS10259, PS-7294, RP29572, RP29575, RTR-006897, TF10330, TRA0074379, 3-(Trifluoromethyl)-4-bromobenzoic acid, AJ-68795, AK-33540, AN-14882, BC002828, BC681407, BR-33540, SC-01478, SY023690, 4-bromanyl-3-(trifluoromethyl)benzoic acid, AB0022611, Benzoic acid,4-bromo-3-(trifluoromethyl)-, DB-011305, DB-022312, TR-006897, AM20060008, FT-0081500, FT-0651163, FT-0659171, ST24032759, W3513, A19970, S-2014, 4-bromo-3-(trifluoromethyl)benzoic acid, 95+%, MFCD08459288 (97+%), A810280, 3S110699, I01-4636, I01-6251, J-514700, Z1741971207, 2-bromo-5-carboxybenzotrifluoride, 4-bromo-alpha,alpha,alpha-trifluoro-m-toluic acid, C8H4BrF3O2, ACN-038542, A1538,

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

Lot Number