AG001DNW

146070-35-1 | Benzonitrile, 2-fluoro-3-(trifluoromethyl)-

AG001DNW

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CAS Number	146070-35-1
Catalog Number	AG001DNW(AGN-PC-0JS8MS)
Chemical Name	Benzonitrile, 2-fluoro-3-(trifluoromethyl)-
IUPAC Name	2-fluoro-3-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-5(4-13)2-1-3-6(7)8(10,11)12/h1-3H
InChI Key	NMWOWGXPPBIZNH-UHFFFAOYSA-N
MDL Number	MFCD00061152
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	N#CC1=CC=CC(C(F)(F)F)=C1F
Synonyms	2-Fluoro-3-(trifluoromethyl)benzonitrile, 146070-35-1, 2-fluoro-3-trifluoromethylbenzonitrile, 3-Cyano-2-fluorobenzotrifluoride, MFCD00061152, NMWOWGXPPBIZNH-UHFFFAOYSA-N, Benzonitrile, 2-fluoro-3-(trifluoromethyl)-, .alpha.,.alpha.,.alpha.,2-Tetrafluoro-m-tolunitrile, 2-fluoro-3-(trifluoromethyl)benzenecarbonitrile, ACMC-20anvp, AC1LARHE, SCHEMBL2003310, CTK4C4801, DTXSID00333860, BUTTPARK 45\01-75, JRD-0543, KS-00000M2F, ZINC2600073, SBB090889, 3-trifluoromethyl-2-fluorobenzonitrile, AKOS006223215, AS02761, MCULE-6895534201, PS-8424, RTR-005773, VZ24542, 2-fluoro-3-trifluoromethyl-benzonitrile, 3 - Cyano - 2 - fluorobenzotrifluoride, AJ-44046, AK135187, SC-74550, 2-Fluoro-3-(trifluoromethyl)-benzonitrile, 2-Fluoro-3-(trifluoromethyl)benzonitrile #, AB0031264, Benzonitrile,2-fluoro-3-(trifluoromethyl)-, DB-042822, ST2404398, TL8001014, TR-005773, F1125, FT-0612310, ST50407035, X4281, alpha,alpha,alpha,2-Tetrafluoro-m-tolunitrile, 2-Fluoro-3-(trifluoromethyl)benzonitrile, 98%, Y-8827, 2-fluoranyl-3-(trifluoromethyl)benzenecarbonitrile, A808446, J-008191, I01-14939, C8H3F4N, CID518974, ZINC02600073, ACN-050618, 1-(trifluoromethyl)cyclopropanecarboxylic acid, 2-Fluoro-3-(trifluoromethyl)benzonitrile, 98% - 1G 1g,

Complexity	226
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.02g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.113g/mol
Monoisotopic Mass	189.02g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	23.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.6

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	\N

Certificate of Analysis

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