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Home > Nitro Compounds > 876390-27-1
876390-27-1 | Benzenesulfonamide, 3-hydroxy-4-[3-(4-nitrophenyl)-1-triazenyl]-
CAS No: 876390-27-1 Catalog No: AG004LDX MDL No:
Product Description
Catalog Number:
AG004LDX
Chemical Name:
Benzenesulfonamide, 3-hydroxy-4-[3-(4-nitrophenyl)-1-triazenyl]-
CAS Number:
876390-27-1
Molecular Formula:
C12H11N5O5S
Molecular Weight:
337.3112
IUPAC Name:
3-hydroxy-4-[(4-nitroanilino)diazenyl]benzenesulfonamide
InChI:
InChI=1S/C12H11N5O5S/c13-23(21,22)10-5-6-11(12(18)7-10)15-16-14-8-1-3-9(4-2-8)17(19)20/h1-7,18H,(H,14,15)(H2,13,21,22)
InChI Key:
PSHMXKBLZNQGIQ-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1N=NNc1ccc(cc1)[N+](=O)[O-])S(=O)(=O)N
Properties
Complexity:
535
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.048g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
337.31g/mol
Monoisotopic Mass:
337.048g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
171A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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