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137225-12-8

137225-12-8 | 4-Pyridinecarbonitrile, 2-[(3-cyanophenyl)amino]-

CAS No: 137225-12-8 Catalog No: AG0012ZA MDL No:

Product Description

Catalog Number:
AG0012ZA
Chemical Name:
4-Pyridinecarbonitrile, 2-[(3-cyanophenyl)amino]-
CAS Number:
137225-12-8
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
2-(3-cyanoanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C13H8N4/c14-8-10-2-1-3-12(6-10)17-13-7-11(9-15)4-5-16-13/h1-7H,(H,16,17)
InChI Key:
WEPBSKUPRILNKY-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)Nc1nccc(c1)C#N

Properties

Complexity:
347  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.075g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
220.235g/mol
Monoisotopic Mass:
220.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  

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