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Home > Nitro Compounds > 96-58-2
96-58-2 | 4-hydroxy-n-methyl-3-nitrobenzenesulfonamide
CAS No: 96-58-2 Catalog No: AG005TNF MDL No:
Product Description
Catalog Number:
AG005TNF
Chemical Name:
4-hydroxy-n-methyl-3-nitrobenzenesulfonamide
CAS Number:
96-58-2
Molecular Formula:
C7H8N2O5S
Molecular Weight:
232.2138
IUPAC Name:
4-hydroxy-N-methyl-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C7H8N2O5S/c1-8-15(13,14)5-2-3-7(10)6(4-5)9(11)12/h2-4,8,10H,1H3
InChI Key:
ORCOFVZAETWNGU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(O)ccc(c1C)S(=O)(=O)N
EC Number:
202-517-9
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.015g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
232.21g/mol
Monoisotopic Mass:
232.015g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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