Home Halogens 4-[(4-chlorophenyl)amino]benzonitrile

4-[(4-chlorophenyl)amino]benzonitrile

CAS No.:
1040022-25-0
Catalog Number:
AG01A1QI
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
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Product Description
Catalog Number:
AG01A1QI
Chemical Name:
4-[(4-chlorophenyl)amino]benzonitrile
CAS Number:
1040022-25-0
Molecular Formula:
C13H9ClN2
Molecular Weight:
228.6770
MDL Number:
MFCD11125897
IUPAC Name:
4-(4-chloroanilino)benzonitrile
InChI:
InChI=1S/C13H9ClN2/c14-11-3-7-13(8-4-11)16-12-5-1-10(9-15)2-6-12/h1-8,16H
InChI Key:
QCEHPNVCTKDDIJ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)Nc1ccc(cc1)Cl
Properties
Complexity:
254  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.045g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
228.679g/mol
Monoisotopic Mass:
228.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  
Properties