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Home > Nitro Compounds > 1261863-13-1
1261863-13-1 | Benzenesulfonamide, 2-hydroxy-4-nitro-
CAS No: 1261863-13-1 Catalog No: AG000S2B MDL No:MFCD18397326
Product Description
Catalog Number:
AG000S2B
Chemical Name:
Benzenesulfonamide, 2-hydroxy-4-nitro-
CAS Number:
1261863-13-1
Molecular Formula:
C6H6N2O5S
Molecular Weight:
218.1872
MDL Number:
MFCD18397326
IUPAC Name:
2-hydroxy-4-nitrobenzenesulfonamide
InChI:
InChI=1S/C6H6N2O5S/c7-14(12,13)6-2-1-4(8(10)11)3-5(6)9/h1-3,9H,(H2,7,12,13)
InChI Key:
GFDDXSZDOQVYHC-UHFFFAOYSA-N
SMILES:
Oc1cc(ccc1S(=O)(=O)N)[N+](=O)[O-]
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.183g/mol
Monoisotopic Mass:
218g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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