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89241-91-8 | 4-Pyridinecarbonitrile, 3-amino-2-phenyl-
CAS No: 89241-91-8 Catalog No: AG004498 MDL No:
Product Description
Catalog Number:
AG004498
Chemical Name:
4-Pyridinecarbonitrile, 3-amino-2-phenyl-
CAS Number:
89241-91-8
Molecular Formula:
C12H9N3
Molecular Weight:
195.2200
IUPAC Name:
3-amino-2-phenylpyridine-4-carbonitrile
InChI:
InChI=1S/C12H9N3/c13-8-10-6-7-15-12(11(10)14)9-4-2-1-3-5-9/h1-7H,14H2
InChI Key:
VRSMGJJTMTXQFY-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1N)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.08g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
195.225g/mol
Monoisotopic Mass:
195.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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