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89241-89-4 | 3,4-Pyridinedicarbonitrile, 5-amino-6-phenyl-
CAS No: 89241-89-4 Catalog No: AG0042MG MDL No:
Product Description
Catalog Number:
AG0042MG
Chemical Name:
3,4-Pyridinedicarbonitrile, 5-amino-6-phenyl-
CAS Number:
89241-89-4
Molecular Formula:
C13H8N4
Molecular Weight:
220.2294
IUPAC Name:
5-amino-6-phenylpyridine-3,4-dicarbonitrile
InChI:
InChI=1S/C13H8N4/c14-6-10-8-17-13(12(16)11(10)7-15)9-4-2-1-3-5-9/h1-5,8H,16H2
InChI Key:
AQORDLQMODODKO-UHFFFAOYSA-N
SMILES:
N#Cc1c(C#N)cnc(c1N)c1ccccc1
Properties
Complexity:
354
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:
1
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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