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7071-45-6 | Acetonitrile, [(4-chlorophenyl)azo][(4-chlorophenyl)hydrazono]-
CAS No: 7071-45-6 Catalog No: AG005GR6 MDL No:
Product Description
Catalog Number:
AG005GR6
Chemical Name:
Acetonitrile, [(4-chlorophenyl)azo][(4-chlorophenyl)hydrazono]-
CAS Number:
7071-45-6
Molecular Formula:
C14H9Cl2N5
Molecular Weight:
318.1608
IUPAC Name:
N'-(4-chloroanilino)-N-(4-chlorophenyl)imino-1-cyanomethanimidamide
InChI:
InChI=1S/C14H9Cl2N5/c15-10-1-5-12(6-2-10)18-20-14(9-17)21-19-13-7-3-11(16)4-8-13/h1-8,18H
InChI Key:
UPPPBOXTFNOJGH-UHFFFAOYSA-N
SMILES:
N#CC(=NNc1ccc(cc1)Cl)N=Nc1ccc(cc1)Cl
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.024g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.161g/mol
Monoisotopic Mass:
317.024g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
6
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