Home Halogens 3-[(2-chlorophenyl)amino]butanenitrile

3-[(2-chlorophenyl)amino]butanenitrile

CAS No.:
1181405-24-2
Catalog Number:
AG01BRZ5
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
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Product Description
Catalog Number:
AG01BRZ5
Chemical Name:
3-[(2-chlorophenyl)amino]butanenitrile
CAS Number:
1181405-24-2
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD11935473
IUPAC Name:
3-(2-chloroanilino)butanenitrile
InChI:
InChI=1S/C10H11ClN2/c1-8(6-7-12)13-10-5-3-2-4-9(10)11/h2-5,8,13H,6H2,1H3
InChI Key:
YBCDWNUFOQAATQ-UHFFFAOYSA-N
SMILES:
N#CCC(Nc1ccccc1Cl)C
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
194.662g/mol
Monoisotopic Mass:
194.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties