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29372-39-2 | Benzonitrile, 2,2'-(methyldiazoamino)di- (8CI)
CAS No: 29372-39-2 Catalog No: AG002Y7A MDL No:
Product Description
Catalog Number:
AG002Y7A
Chemical Name:
Benzonitrile, 2,2'-(methyldiazoamino)di- (8CI)
CAS Number:
29372-39-2
Molecular Formula:
C15H11N5
Molecular Weight:
261.2813
IUPAC Name:
2-[(2-cyano-N-methylanilino)diazenyl]benzonitrile
InChI:
InChI=1S/C15H11N5/c1-20(15-9-5-3-7-13(15)11-17)19-18-14-8-4-2-6-12(14)10-16/h2-9H,1H3
InChI Key:
DIBPLLICXLYNCI-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1N=NN(c1ccccc1C#N)C
NSC Number:
118748
Properties
Complexity:
440
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.101g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.288g/mol
Monoisotopic Mass:
261.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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