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

4-chloro-2-[(oxan-4-yl)amino]benzonitrile

CAS No.:
939816-62-3
Catalog Number:
AG01AALD
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
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Product Description
Catalog Number:
AG01AALD
Chemical Name:
4-chloro-2-[(oxan-4-yl)amino]benzonitrile
CAS Number:
939816-62-3
Molecular Formula:
C12H13ClN2O
Molecular Weight:
236.6974
MDL Number:
MFCD12118927
IUPAC Name:
4-chloro-2-(oxan-4-ylamino)benzonitrile
InChI:
InChI=1S/C12H13ClN2O/c13-10-2-1-9(8-14)12(7-10)15-11-3-5-16-6-4-11/h1-2,7,11,15H,3-6H2
InChI Key:
CGGPCPASTXDYOR-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1NC1CCOCC1)Cl
Properties
Complexity:
269  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.072g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
236.699g/mol
Monoisotopic Mass:
236.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2  
Properties