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Home > Nitro Compounds > 139362-40-6
139362-40-6 | 1-Triazene, 3-hydroxy-1-(3-nitrophenyl)-3-(4-nitrosophenyl)-
CAS No: 139362-40-6 Catalog No: AG001AUS MDL No:
Product Description
Catalog Number:
AG001AUS
Chemical Name:
1-Triazene, 3-hydroxy-1-(3-nitrophenyl)-3-(4-nitrosophenyl)-
CAS Number:
139362-40-6
Molecular Formula:
C12H9N5O4
Molecular Weight:
287.2310
IUPAC Name:
[(3-nitrophenyl)hydrazinylidene]-(4-nitrosophenyl)-oxidoazanium
InChI:
InChI=1S/C12H9N5O4/c18-14-9-4-6-11(7-5-9)16(19)15-13-10-2-1-3-12(8-10)17(20)21/h1-8,13H
InChI Key:
YRKISJNWGXQFGK-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)N(N=Nc1cccc(c1)[N+](=O)[O-])O
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.065g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
287.235g/mol
Monoisotopic Mass:
287.065g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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