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137225-09-3 | 4-Pyridinecarbonitrile, 2-[(4-methoxyphenyl)amino]-
CAS No: 137225-09-3 Catalog No: AG0012ZD MDL No:
Product Description
Catalog Number:
AG0012ZD
Chemical Name:
4-Pyridinecarbonitrile, 2-[(4-methoxyphenyl)amino]-
CAS Number:
137225-09-3
Molecular Formula:
C13H11N3O
Molecular Weight:
225.2459
IUPAC Name:
2-(4-methoxyanilino)pyridine-4-carbonitrile
InChI:
InChI=1S/C13H11N3O/c1-17-12-4-2-11(3-5-12)16-13-8-10(9-14)6-7-15-13/h2-8H,1H3,(H,15,16)
InChI Key:
XZVSMHRJLWCGCW-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)Nc1nccc(c1)C#N
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.09g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
225.251g/mol
Monoisotopic Mass:
225.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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