Home Nitriles 2-aMino-2-(4-(trifluoroMethyl)phenyl)acetonitrile

2-aMino-2-(4-(trifluoroMethyl)phenyl)acetonitrile

CAS No.:
167024-67-1
Catalog Number:
AG00AUMD
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
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Product Description
Catalog Number:
AG00AUMD
Chemical Name:
2-aMino-2-(4-(trifluoroMethyl)phenyl)acetonitrile
CAS Number:
167024-67-1
Molecular Formula:
C9H7F3N2
Molecular Weight:
200.1605
MDL Number:
MFCD09731430
IUPAC Name:
2-amino-2-[4-(trifluoromethyl)phenyl]acetonitrile
InChI:
InChI=1S/C9H7F3N2/c10-9(11,12)7-3-1-6(2-4-7)8(14)5-13/h1-4,8H,14H2
InChI Key:
XNINJDSNBGQKDL-UHFFFAOYSA-N
SMILES:
NC(c1ccc(cc1)C(F)(F)F)C#N
Properties
Complexity:
232  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.056g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
200.164g/mol
Monoisotopic Mass:
200.056g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties