AG003KBB

49561-96-8 | 2-(4-(Trifluoromethoxy)phenyl)acetonitrile

AG003KBB

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CAS Number	49561-96-8
Catalog Number	AG003KBB(AGN-PC-0JMSS5)
Chemical Name	2-(4-(Trifluoromethoxy)phenyl)acetonitrile
IUPAC Name	2-[4-(trifluoromethoxy)phenyl]acetonitrile
InChI	InChI=1S/C9H6F3NO/c10-9(11,12)14-8-3-1-7(2-4-8)5-6-13/h1-4H,5H2
InChI Key	LYFCAROXYJTUQF-UHFFFAOYSA-N
MDL Number	MFCD00061240
Molecular Formula	C9H6F3NO
Molecular Weight	201.1452
SMILES	N#CCC1=CC=C(OC(F)(F)F)C=C1
Synonyms	4-(Trifluoromethoxy)phenylacetonitrile, 49561-96-8, 2-(4-(Trifluoromethoxy)phenyl)acetonitrile, 2-[4-(trifluoromethoxy)phenyl]acetonitrile, 4-(Trifluoromethoxy)benzyl cyanide, 4-trifluoromethoxybenzyl cyanide, Benzeneacetonitrile, 4-(trifluoromethoxy)-, MFCD00061240, (4-trifluoromethoxy-phenyl)-acetonitrile, [4-(trifluoromethoxy)phenyl]acetonitrile, 4-trifluoromethoxybenzylcyanide, 1-[4-(trifluoromethoxy)phenyl]acetonitrile, LYFCAROXYJTUQF-UHFFFAOYSA-N, p-Trifluoromethoxyphenyl acetonitrile, 2-[4-(trifluoromethoxy)phenyl]ethanenitrile, EN300-33442, PubChem4223, ACMC-1AKC7, AC1L3LM0, AC1Q4KF6, AC1Q4KF7, KSC495I7D, SCHEMBL549086, CTK3J5471, KS-00000EHA, DTXSID00197843, PC7440H, 4-trifluoromethoxyphenylacetonitrile, ACT00247, JRD-0664, ZINC2169762, ZX-AP004550, 4-trifluoromethoxy-phenylacetonitrile, ANW-30788, SBB064439, (4-trifluoromethoxyphenyl)acetonitrile, AKOS000151352, AC-7446, AM61570, AN-8999, AS01983, BBV-042637, FCH2257219, MCULE-9427191010, PS-8201, RP25845, RTR-017818, TF10167, TRA0077598, VZ28005, 4 - (Trifluoromethoxy)phenylacetonitrile, AC-16919, AJ-34006, AK-88491, CC-16984, CJ-07919, SY016862, AB0030468, AX8011507, TR-017818, 2-(4-(Trifluoromethoxy) phenyl)acetonitrile, 4-(Trifluoromethoxy)phenylacetonitrile, 97%, 4-(Trifluoromethoxy)phenylacetonitrile, 98%, A1721, A4665, FT-0616900, ST24027529, ST50319708, X2666, MFCD00061240 (98%), C-09595, I01-4865, J-513901, F0001-1288, Z1238477882, 5-fluoropyridin-2-amine, 2-Amino-5-fluoropyridine, C9H6F3NO, 4- PHENYLACETONITRILE, p-(Trifluormethoxy)phenylacetonitril, CID142676, ZINC02169762, ACN-050417, 1-(Cyanmethyl)-4-(trifluormethoxy)benzol, T1804, K-9220, 4-(Trifluoromethoxy)phenylacetonitrile, 98% - 1G 1g, 21717-96-4,

Complexity	222
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	201.04g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	201.148g/mol
Monoisotopic Mass	201.04g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	33A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H312-H332
Packing Group
Precautionary statements	P280
UN Code	\N

Certificate of Analysis

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