AG00I698

328-67-6 | Benzoic acid, 3-bromo-5-(trifluoromethyl)-

AG00I698

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CAS Number	328-67-6
Catalog Number	AG00I698(AGN-PC-0NFNV3)
Chemical Name	Benzoic acid, 3-bromo-5-(trifluoromethyl)-
IUPAC Name	3-bromo-5-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C8H4BrF3O2/c9-6-2-4(7(13)14)1-5(3-6)8(10,11)12/h1-3H,(H,13,14)
InChI Key	AMZBKZQMAZWIJM-UHFFFAOYSA-N
MDL Number	MFCD03412186
Molecular Formula	C8H4BrF3O2
Molecular Weight	269.0154
SMILES	O=C(O)C1=CC(C(F)(F)F)=CC(Br)=C1
Synonyms	3-Bromo-5-(trifluoromethyl)benzoic acid, 328-67-6, 3-bromo-5-trifluoromethylbenzoic acid, 3-Bromo-5-trifluoromethyl-benzoic acid, 5-bromo-3-(trifluoromethyl)benzoic acid, Benzoic acid, 3-bromo-5-(trifluoromethyl)-, MFCD03412186, 3-bromo-5-trifluoromethyl benzoic acid, PubChem4737, 3-Bromo-5-(trifluoromethyl)benzoicacid, ACMC-1CLGK, KSC222E0T, SCHEMBL494019, CTK1C2209, DTXSID20454763, AMZBKZQMAZWIJM-UHFFFAOYSA-N, ACT00920, ZINC2529865, 3-Bromo-5-trifluoromethylbenzoicacid, ANW-27477, BBL100997, CB-467, SBB063493, STL554791, 3-trifluoromethyl-5-bromobenzoic acid, AKOS005256161, 5-bromo-3-trifluoromethyl-benzoic acid, AB14379, AC-3923, AN-6228, AS01820, CM12551, CS-W004826, PS-7297, RP29570, RTR-013793, TF10373, VZ26456, 3-Bromo-5-(trifluoromethyl) benzoic acid, AJ-38450, AK-23686, BC002826, BR-23686, SC-47511, SY016343, U722, AB0019425, Benzoicacid, 3-bromo-5-(trifluoromethyl)-, DB-032300, ST2417548, TL8002476, TR-013793, 4CH-014455, AM20060115, B4533, FT-0600633, MFCD03412186 (97%), M-1442, I01-1837, J-511980, 3-Bromo-5- benzoicacid, C8H4BrF3O2, CID11086788, A1642, 3-Bromo-5-(trifluoromethyl)benzoic acid, 98% - 100G 100g,

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	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number