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113900-22-4 | Benzonitrile, 2-[2-(4-aminophenyl)diazenyl]-5-nitro-
CAS No: 113900-22-4 Catalog No: AG000A0Q MDL No:
Product Description
Catalog Number:
AG000A0Q
Chemical Name:
Benzonitrile, 2-[2-(4-aminophenyl)diazenyl]-5-nitro-
CAS Number:
113900-22-4
Molecular Formula:
C13H9N5O2
Molecular Weight:
267.2429
IUPAC Name:
2-[(4-aminophenyl)diazenyl]-5-nitrobenzonitrile
InChI:
InChI=1S/C13H9N5O2/c14-8-9-7-12(18(19)20)5-6-13(9)17-16-11-3-1-10(15)2-4-11/h1-7H,15H2
InChI Key:
SFOWBGIZNYIMRW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1N=Nc1ccc(cc1)N)[N+](=O)[O-]
Properties
Complexity:
416
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.076g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.248g/mol
Monoisotopic Mass:
267.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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