Home Halogens 4-chloro-2-[(cyclopropylmethyl)amino]benzonitrile

4-chloro-2-[(cyclopropylmethyl)amino]benzonitrile

CAS No.:
1153005-78-7
Catalog Number:
AG01AAO5
Molecular Formula:
C11H11ClN2
Molecular Weight:
206.6714
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Product Description
Catalog Number:
AG01AAO5
Chemical Name:
4-chloro-2-[(cyclopropylmethyl)amino]benzonitrile
CAS Number:
1153005-78-7
Molecular Formula:
C11H11ClN2
Molecular Weight:
206.6714
MDL Number:
MFCD12119002
IUPAC Name:
4-chloro-2-(cyclopropylmethylamino)benzonitrile
InChI:
InChI=1S/C11H11ClN2/c12-10-4-3-9(6-13)11(5-10)14-7-8-1-2-8/h3-5,8,14H,1-2,7H2
InChI Key:
VVWJHPLEPVJCFZ-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1NCC1CC1)Cl
Properties
Complexity:
241  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.061g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.673g/mol
Monoisotopic Mass:
206.061g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
35.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Properties