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102568-53-6 | Acetonitrile, 2-[2-(2-methylphenyl)diazenyl]-2-[2-(2-methylphenyl)hydrazinylidene]-
CAS No: 102568-53-6 Catalog No: AG0007Q4 MDL No:
Product Description
Catalog Number:
AG0007Q4
Chemical Name:
Acetonitrile, 2-[2-(2-methylphenyl)diazenyl]-2-[2-(2-methylphenyl)hydrazinylidene]-
CAS Number:
102568-53-6
Molecular Formula:
C16H15N5
Molecular Weight:
277.3238
IUPAC Name:
1-cyano-N'-(2-methylanilino)-N-(2-methylphenyl)iminomethanimidamide
InChI:
InChI=1S/C16H15N5/c1-12-7-3-5-9-14(12)18-20-16(11-17)21-19-15-10-6-4-8-13(15)2/h3-10,18H,1-2H3
InChI Key:
VEEQNTQNJQKVBZ-UHFFFAOYSA-N
SMILES:
N#CC(=NNc1ccccc1C)N=Nc1ccccc1C
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.133g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
277.331g/mol
Monoisotopic Mass:
277.133g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.5
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