Home Nitriles 3-(4-Aminophenyl)benzonitrile

3-(4-Aminophenyl)benzonitrile

CAS No.:
443998-73-0
Catalog Number:
AG003I2Z
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
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Product Description
Catalog Number:
AG003I2Z
Chemical Name:
3-(4-Aminophenyl)benzonitrile
CAS Number:
443998-73-0
Molecular Formula:
C13H10N2
Molecular Weight:
194.2319
MDL Number:
MFCD04117364
IUPAC Name:
3-(4-aminophenyl)benzonitrile
InChI:
InChI=1S/C13H10N2/c14-9-10-2-1-3-12(8-10)11-4-6-13(15)7-5-11/h1-8H,15H2
InChI Key:
CYKMHHNPZOCBKT-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)c1ccc(cc1)N
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.237g/mol
Monoisotopic Mass:
194.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties