Home Halogens [2-(4-chlorophenyl)ethyl](cyano)amine

[2-(4-chlorophenyl)ethyl](cyano)amine

CAS No.:
1247372-60-6
Catalog Number:
AG01EJR3
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
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Product Description
Catalog Number:
AG01EJR3
Chemical Name:
[2-(4-chlorophenyl)ethyl](cyano)amine
CAS Number:
1247372-60-6
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD16768171
IUPAC Name:
2-(4-chlorophenyl)ethylcyanamide
InChI:
InChI=1S/C9H9ClN2/c10-9-3-1-8(2-4-9)5-6-12-7-11/h1-4,12H,5-6H2
InChI Key:
GMFYSQKUYSDJLD-UHFFFAOYSA-N
SMILES:
N#CNCCc1ccc(cc1)Cl
Properties
Complexity:
165  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Properties