Home Nitriles 2-((3-Chlorophenyl)Amino)Nicotinonitrile

2-((3-Chlorophenyl)Amino)Nicotinonitrile

CAS No.:
724745-64-6
Catalog Number:
AG00IC9P
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
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Product Description
Catalog Number:
AG00IC9P
Chemical Name:
2-((3-Chlorophenyl)Amino)Nicotinonitrile
CAS Number:
724745-64-6
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
MDL Number:
MFCD05742000
IUPAC Name:
2-(3-chloroanilino)pyridine-3-carbonitrile
InChI:
InChI=1S/C12H8ClN3/c13-10-4-1-5-11(7-10)16-12-9(8-14)3-2-6-15-12/h1-7H,(H,15,16)
InChI Key:
IKOZKDSKKYJPSD-UHFFFAOYSA-N
SMILES:
N#Cc1cccnc1Nc1cccc(c1)Cl
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.041g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.667g/mol
Monoisotopic Mass:
229.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties