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Home > Pyridines > 101685-31-8
101685-31-8 | 3,5-Pyridazinedicarbonitrile, 1,6-dihydro-6-imino-1,4-diphenyl-
CAS No: 101685-31-8 Catalog No: AG00057S MDL No:
Product Description
Catalog Number:
AG00057S
Chemical Name:
3,5-Pyridazinedicarbonitrile, 1,6-dihydro-6-imino-1,4-diphenyl-
CAS Number:
101685-31-8
Molecular Formula:
C18H11N5
Molecular Weight:
297.3134
IUPAC Name:
6-imino-1,4-diphenylpyridazine-3,5-dicarbonitrile
InChI:
InChI=1S/C18H11N5/c19-11-15-17(13-7-3-1-4-8-13)16(12-20)22-23(18(15)21)14-9-5-2-6-10-14/h1-10,21H
InChI Key:
KDKCLOJFEQHGMP-UHFFFAOYSA-N
SMILES:
N#Cc1nn(c2ccccc2)c(=N)c(c1c1ccccc1)C#N
Properties
Complexity:
641
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.101g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.321g/mol
Monoisotopic Mass:
297.101g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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