Home Halogens 3-(3-chlorophenylamino)propanenitrile

3-(3-chlorophenylamino)propanenitrile

CAS No.:
54475-92-2
Catalog Number:
AG00DH61
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
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Product Description
Catalog Number:
AG00DH61
Chemical Name:
3-(3-chlorophenylamino)propanenitrile
CAS Number:
54475-92-2
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD00229047
IUPAC Name:
3-(3-chloroanilino)propanenitrile
InChI:
InChI=1S/C9H9ClN2/c10-8-3-1-4-9(7-8)12-6-2-5-11/h1,3-4,7,12H,2,6H2
InChI Key:
FHMOSLSCFOUAOT-UHFFFAOYSA-N
SMILES:
N#CCCNc1cccc(c1)Cl
NSC Number:
147652
Properties
Complexity:
173  
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:
2.8  
Properties