AG00EDXY

58458-11-0 | 2-Amino-6-(trifluoromethyl)benzonitrile

AG00EDXY

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CAS Number	58458-11-0
Catalog Number	AG00EDXY(AGN-PC-03SQF9)
Chemical Name	2-Amino-6-(trifluoromethyl)benzonitrile
IUPAC Name	2-amino-6-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-3-7(13)5(6)4-12/h1-3H,13H2
InChI Key	HKKKKTUZACXWLU-UHFFFAOYSA-N
MDL Number	MFCD08741381
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	N#CC1=C(C(F)(F)F)C=CC=C1N
Synonyms	2-Amino-6-(trifluoromethyl)benzonitrile, 58458-11-0, 2-amino-6-trifluoromethylbenzonitrile, 3-Amino-2-cyanobenzotrifluoride, 2-Cyano-3-(trifluoromethyl)aniline, KSC495K0L, SCHEMBL2417258, 2-cyano-3-trifluoromethylaniline, CTK3J5505, DTXSID20627056, HKKKKTUZACXWLU-UHFFFAOYSA-N, KS-000010SS, ZX-AP002889, CL8151, KM0200, MFCD08741381, PC2853, SBB090363, ZINC16158703, AKOS022171952, AS05790, CM12940, FCH1122872, PS-8480, AJ-68571, AK136413, CJ-15429, 2-Amino-6-trifluoromethylbenzenecarbonitrile, AX8257981, RT-002561, FT-0707588, ST24039952, 6-amino-2-(trifluoromethyl)benzenecarbonitrile,

Complexity	227
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.04g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.137g/mol
Monoisotopic Mass	186.04g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	49.8A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.4

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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