AG007KRC

267242-09-1 | BENZOIC ACID, 4-CYANO-2-(TRIFLUOROMETHYL)-

AG007KRC

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CAS Number	267242-09-1
Catalog Number	AG007KRC(AGN-PC-09RWDJ)
Chemical Name	BENZOIC ACID, 4-CYANO-2-(TRIFLUOROMETHYL)-
IUPAC Name	4-cyano-2-(trifluoromethyl)benzoic acid
InChI	InChI=1S/C9H4F3NO2/c10-9(11,12)7-3-5(4-13)1-2-6(7)8(14)15/h1-3H,(H,14,15)
InChI Key	GRUPENLXDNWNIV-UHFFFAOYSA-N
MDL Number	MFCD11977374
Molecular Formula	C9H4F3NO2
Molecular Weight	215.1288
SMILES	O=C(O)C1=CC=C(C#N)C=C1C(F)(F)F
Synonyms	4-CYANO-2-(TRIFLUOROMETHYL)BENZOIC ACID, 267242-09-1, AK-93546, Benzoicacid, 4-cyano-2-(trifluoromethyl)-, 4-CYANO-2-TRIFLUOROMETHYLBENZOIC ACID, SCHEMBL1417702, CTK0J9708, DTXSID40696921, GRUPENLXDNWNIV-UHFFFAOYSA-N, KS-00000Q0U, 2413AB, ANW-53362, CL9180, MFCD11977374, WT1516, ZINC71613090, AKOS015999548, CC-1654, FCH1753477, BBV-45183128, DS-17854, AB0087646, AJ-118260, AX8230931, TC-142107, 4CH-011756, ST24023520, A818570, 267242-09-1 4-cyano-2-(trifluoromethyl)benzoic acid, C9H4F3NO2, 4-Cyano-2-(trifluoromethyl)benzoicacid,

Complexity	304
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	215.019g/mol
Formal Charge	0
Heavy Atom Count	15
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	215.131g/mol
Monoisotopic Mass	215.019g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	61.1A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302+H312+H332-H315-H319-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

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