Home Halogens 3-{[(4-chlorophenyl)methyl]amino}benzonitrile

3-{[(4-chlorophenyl)methyl]amino}benzonitrile

CAS No.:
1019495-79-4
Catalog Number:
AG019RT0
Molecular Formula:
C14H11ClN2
Molecular Weight:
242.7035
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Product Description
Catalog Number:
AG019RT0
Chemical Name:
3-{[(4-chlorophenyl)methyl]amino}benzonitrile
CAS Number:
1019495-79-4
Molecular Formula:
C14H11ClN2
Molecular Weight:
242.7035
MDL Number:
MFCD11144697
IUPAC Name:
3-[(4-chlorophenyl)methylamino]benzonitrile
InChI:
InChI=1S/C14H11ClN2/c15-13-6-4-11(5-7-13)10-17-14-3-1-2-12(8-14)9-16/h1-8,17H,10H2
InChI Key:
DUXCUOKODZVGIP-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NCc1ccc(cc1)Cl
Properties
Complexity:
275  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.061g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
242.706g/mol
Monoisotopic Mass:
242.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties