AG0014AS

133116-83-3 | Benzonitrile, 2-fluoro-6-(trifluoromethyl)-

AG0014AS

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CAS Number	133116-83-3
Catalog Number	AG0014AS(AGN-PC-0JMUMZ)
Chemical Name	Benzonitrile, 2-fluoro-6-(trifluoromethyl)-
IUPAC Name	2-fluoro-6-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H3F4N/c9-7-3-1-2-6(5(7)4-13)8(10,11)12/h1-3H
InChI Key	OGQYJDHTHFAPRN-UHFFFAOYSA-N
MDL Number	MFCD00061153
Molecular Formula	C8H3F4N
Molecular Weight	189.1097
SMILES	C1=CC=C(C(=C1F)C#N)C(F)(F)F
Synonyms	2-Fluoro-6-(trifluoromethyl)benzonitrile, 133116-83-3, 2-fluoro-6-trifluoromethylbenzonitrile, 2-Cyano-3-fluorobenzotrifluoride, MFCD00061153, Benzonitrile, 2-fluoro-6-(trifluoromethyl)-, OGQYJDHTHFAPRN-UHFFFAOYSA-N, 2-Fluoro-6-trifluoromethyl-benzonitrile, AK-33132, .alpha.,.alpha.,.alpha.,6-Tetrafluoro-o-tolunitrile, 133116-83-3 2-fluoro-6-(trifluoromethyl)benzonitrile, PubChem4799, AC1L3RJC, ACMC-1CGR6, Intermediates-ZCF02031, KSC495M8R, SCHEMBL646513, CTK3J5688, DTXSID70157959, PC4373H, WT428, ZINC155278, ACT09640, BCP19422, JRD-0135, ZX-AP003539, ANW-19512, CL8168, FCH932194, SBB064309, WT2185, AKOS005064103, AC-4093, AS01694, CM13114, DS-0818, MCULE-6280438705, PS-8417, RP24876, RP24879, RTR-004523, TRA0075228, VZ24629, KS-0000056I, AJ-13510, AN-12288, BR-33132, CC-10689, CJ-01414, SC-00827, SY014549, ZB006010, 2-Fluoro-6-(trifluoromethyl)benzonitrile #, AB0028146, AB1010846, AX8005585, DB-011032, ST2416911, TR-004523, 2-Cyano-1-fluoro-3-(trifluoromethyl)benzene, 2-Fluoro-6-trifluoromethylbenzenecarbonitrile, 4CH-000796, A2828, AM20060079, F0701, FT-0081622, FT-0612384, ST50407134, X0182, alpha,alpha,alpha,6-Tetrafluoro-o-tolunitrile, MFCD00061153 (95%), 2-fluoro-6-(trifluoromethyl)benzenecarbonitrile, 2-Fluoro-6-(trifluoromethyl)benzonitrile, 97%, 6-fluoro-2-(trifluoromethyl)benzenecarbonitrile, S-1551, C-07912, I01-4603, J-509507, C8H3F4N, 2-FLUORO-6- BENZONITRILE, CID145613, ZINC00155278, ACN-052121, 2-Fluoro-6-(trifluoromethyl)benzonitrile, 98% - 1G 1g, |A,|A,|A,6-Tetrafluoro-o-tolunitrile; 2-Cyano-3-fluorobenzotrifluoride,

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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