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137225-07-1 | 4-Pyridinecarbonitrile, 2-[(4-methylphenyl)amino]-
CAS No: 137225-07-1 Catalog No: AG0012ZF MDL No:
Product Description
Catalog Number:
AG0012ZF
Chemical Name:
4-Pyridinecarbonitrile, 2-[(4-methylphenyl)amino]-
CAS Number:
137225-07-1
Molecular Formula:
C13H11N3
Molecular Weight:
209.2465
IUPAC Name:
2-(4-methylanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C13H11N3/c1-10-2-4-12(5-3-10)16-13-8-11(9-14)6-7-15-13/h2-8H,1H3,(H,15,16)
InChI Key:
XAPOQYFHSBSMEU-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)Nc1ccc(cc1)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.095g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
209.252g/mol
Monoisotopic Mass:
209.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
48.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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