AG0016P0

1220630-83-0 | Benzonitrile, 3-amino-4-(trifluoromethyl)-

AG0016P0

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CAS Number	1220630-83-0
Catalog Number	AG0016P0(AGN-PC-09MQVD)
Chemical Name	Benzonitrile, 3-amino-4-(trifluoromethyl)-
IUPAC Name	3-amino-4-(trifluoromethyl)benzonitrile
InChI	InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2
InChI Key	CZYRYIJZODSVTK-UHFFFAOYSA-N
MDL Number	MFCD18072580
Molecular Formula	C8H5F3N2
Molecular Weight	186.1339
SMILES	NC1=C(C=CC(=C1)C#N)C(F)(F)F
Synonyms	3-Amino-4-(trifluoromethyl)benzonitrile, 1220630-83-0, AK-99984, SCHEMBL1724867, CTK8B7268, KS-00000HWU, DTXSID90681009, CZYRYIJZODSVTK-UHFFFAOYSA-N, ANW-56884, MFCD18072580, ZINC64034010, AKOS016002793, 3-Amino-4-trifluoromethyl-benzonitrile, AS05791, CM12941, DS-2227, FCH1168585, MP-1183, PC49084, CJ-20987, SC-51719, AB0061150, AJ-114712, AX8161769, DB-010053, TC-145629, 4CH-008754, Benzonitrile, 3-amino-4-(trifluoromethyl)-, FT-0703210, ST24028381, Z3999, AS-813/43501993, C8H5F3N2,

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	1.8

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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