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Home > Nitro Compounds > 139362-38-2
139362-38-2 | Benzoic acid, 2-[3-hydroxy-3-(4-nitrosophenyl)-1-triazen-1-yl]-
CAS No: 139362-38-2 Catalog No: AG001AUU MDL No:
Product Description
Catalog Number:
AG001AUU
Chemical Name:
Benzoic acid, 2-[3-hydroxy-3-(4-nitrosophenyl)-1-triazen-1-yl]-
CAS Number:
139362-38-2
Molecular Formula:
C13H10N4O4
Molecular Weight:
286.2429
IUPAC Name:
[(2-carboxyphenyl)hydrazinylidene]-(4-nitrosophenyl)-oxidoazanium
InChI:
InChI=1S/C13H10N4O4/c18-13(19)11-3-1-2-4-12(11)14-16-17(21)10-7-5-9(15-20)6-8-10/h1-8,14H,(H,18,19)
InChI Key:
QPOCSTSQVARGBY-UHFFFAOYSA-N
SMILES:
O=Nc1ccc(cc1)N(N=Nc1ccccc1C(=O)O)O
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.07g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
286.247g/mol
Monoisotopic Mass:
286.07g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.9
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