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Home > Nitro Compounds > 113934-39-7
113934-39-7 | Diazenecarbonitrile, 2-[4-[(4-nitrophenyl)thio]phenyl]-
CAS No: 113934-39-7 Catalog No: AG000A3Q MDL No:
Product Description
Catalog Number:
AG000A3Q
Chemical Name:
Diazenecarbonitrile, 2-[4-[(4-nitrophenyl)thio]phenyl]-
CAS Number:
113934-39-7
Molecular Formula:
C13H8N4O2S
Molecular Weight:
284.2932
IUPAC Name:
[4-(4-nitrophenyl)sulfanylphenyl]iminocyanamide
InChI:
InChI=1S/C13H8N4O2S/c14-9-15-16-10-1-5-12(6-2-10)20-13-7-3-11(4-8-13)17(18)19/h1-8H
InChI Key:
HLTBRSUANCTZKL-UHFFFAOYSA-N
SMILES:
N#CN=Nc1ccc(cc1)Sc1ccc(cc1)[N+](=O)[O-]
Properties
Complexity:
398
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.293g/mol
Monoisotopic Mass:
284.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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