Home Nitriles Benzonitrile, 5-amino-2-(trifluoromethyl)-

Benzonitrile, 5-amino-2-(trifluoromethyl)-

CAS No.:
354814-19-0
Catalog Number:
AG00I71K
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
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Product Description
Catalog Number:
AG00I71K
Chemical Name:
Benzonitrile, 5-amino-2-(trifluoromethyl)-
CAS Number:
354814-19-0
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD20694851
IUPAC Name:
5-amino-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7-2-1-6(13)3-5(7)4-12/h1-3H,13H2
InChI Key:
OAIXMLOQLVHQER-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)ccc1C(F)(F)F
Properties
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  
Properties