AG002C67

199528-28-4 | 4''-(Trifluoromethyl)[1,1''-biphenyl]-3-carboxylic acid

AG002C67

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CAS Number	199528-28-4
Catalog Number	AG002C67(AGN-PC-0KL1UL)
Chemical Name	4''-(Trifluoromethyl)[1,1''-biphenyl]-3-carboxylic acid
IUPAC Name	3-[4-(trifluoromethyl)phenyl]benzoic acid
InChI	InChI=1S/C14H9F3O2/c15-14(16,17)12-6-4-9(5-7-12)10-2-1-3-11(8-10)13(18)19/h1-8H,(H,18,19)
InChI Key	BJKGBAVGLRYCTK-UHFFFAOYSA-N
MDL Number	MFCD03424604
Molecular Formula	C14H9F3O2
Molecular Weight	266.2153
SMILES	C(=O)(O)c1cc(ccc1)c1ccc(cc1)C(F)(F)F
Synonyms	199528-28-4, 4'-Trifluoromethyl-biphenyl-3-carboxylic acid, 4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carboxylic acid, 3-[4-(trifluoromethyl)phenyl]benzoic Acid, 4'-trifluoromethylbiphenyl-3-carboxylic acid, 4'-(Trifluoromethyl)biphenyl-3-carboxylic acid, MFCD03424604, 4'-trifluoromethyl [1,1'-biphenyl]-3-carboxylic acid, 4'-(trifluoromethyl)[1,1'-biphenyl]-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylicacid, 4'-(trifluoromethyl)-, PubChem9318, AC1MD2XJ, AMTDA080, ACMC-1C80I, SCHEMBL177453, CTK0I1847, DTXSID40382236, BJKGBAVGLRYCTK-UHFFFAOYSA-N, ZINC2574070, ANW-51030, SBB103008, AKOS004117566, AS-2109, RTR-009275, VZ29777, 3-(4-trifluoromethylphenyl)benzoic acid, KS-0000227N, 3-(4-Trifluoromethylphenyl)-benzoic acid, AJ-42185, BP-11309, BR-21707, AB0009204, DB-001748, TR-009275, 4CH-007773, BB 0222373, FT-0643859, ST24028633, 4;-Trifluoromethyl-biphenyl-3-carboxylic acid, 4'-(trifluoromethyl)-3-biphenylcarboxylic acid, M-1465, 4'-(Trifluoromethyl)-[biphenyl]-3-carboxylic acid, [1,1'-Biphenyl]-3-carboxylic acid, 4'-(trifluoromethyl)-, [1,1'-Biphenyl]-3-carboxylicacid,4'-(trifluoromethyl)-, 4'-Trifluoromethyl-biphenyl-3-carboxylic acid, AldrichCPR, 4?E per thousand-Trifluoromethylbiphenyl-3-carboxylic acid, C14H9F3O2, CID2782718, 4-(Trifluoromethyl)biphenyl-3-carboxylic acid, 4'-(Trifluoromethyl)-[1,1'-biphenyl]-3-carboxylicacid, 195457-71-7,

Complexity	319
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	266.055g/mol
Formal Charge	0
Heavy Atom Count	19
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	266.219g/mol
Monoisotopic Mass	266.055g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	37.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

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