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1019463-88-7 | 4-Pyridinecarbonitrile, 2-[(3-chlorophenyl)amino]-
CAS No: 1019463-88-7 Catalog No: AG00060U MDL No:
Product Description
Catalog Number:
AG00060U
Chemical Name:
4-Pyridinecarbonitrile, 2-[(3-chlorophenyl)amino]-
CAS Number:
1019463-88-7
Molecular Formula:
C12H8ClN3
Molecular Weight:
229.6650
IUPAC Name:
2-(3-chloroanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C12H8ClN3/c13-10-2-1-3-11(7-10)16-12-6-9(8-14)4-5-15-12/h1-7H,(H,15,16)
InChI Key:
WGLBAPWXMAYHGP-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Nc1cccc(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:
3.1
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