Home Halogens 4-chloro-N-cyano-N-ethylaniline

4-chloro-N-cyano-N-ethylaniline

CAS No.:
121366-77-6
Catalog Number:
AG01BVAW
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
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Product Description
Catalog Number:
AG01BVAW
Chemical Name:
4-chloro-N-cyano-N-ethylaniline
CAS Number:
121366-77-6
Molecular Formula:
C9H9ClN2
Molecular Weight:
180.6342
MDL Number:
MFCD27942245
IUPAC Name:
(4-chlorophenyl)-ethylcyanamide
InChI:
InChI=1S/C9H9ClN2/c1-2-12(7-11)9-5-3-8(10)4-6-9/h3-6H,2H2,1H3
InChI Key:
PKRLMSYKWNJJIM-UHFFFAOYSA-N
SMILES:
CCN(c1ccc(cc1)Cl)C#N
Properties
Complexity:
176  
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:
0
Isotope Atom Count:
0
Molecular Weight:
180.635g/mol
Monoisotopic Mass:
180.045g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
27A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties