Home Halogens 4-chloro-2-(propylamino)benzonitrile

4-chloro-2-(propylamino)benzonitrile

CAS No.:
1153006-20-2
Catalog Number:
AG01AB6O
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
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Product Description
Catalog Number:
AG01AB6O
Chemical Name:
4-chloro-2-(propylamino)benzonitrile
CAS Number:
1153006-20-2
Molecular Formula:
C10H11ClN2
Molecular Weight:
194.6607
MDL Number:
MFCD12119008
IUPAC Name:
4-chloro-2-(propylamino)benzonitrile
InChI:
InChI=1S/C10H11ClN2/c1-2-5-13-10-6-9(11)4-3-8(10)7-12/h3-4,6,13H,2,5H2,1H3
InChI Key:
PHYMDIGNQHODNQ-UHFFFAOYSA-N
SMILES:
CCCNc1cc(Cl)ccc1C#N
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties