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Home > Nitro Compounds > 79817-62-2
79817-62-2 | Benzenesulfonamide,4-hydroxy-N-(3-methoxypropyl)-3-nitro-
CAS No: 79817-62-2 Catalog No: AG005H8B MDL No:
Product Description
Catalog Number:
AG005H8B
Chemical Name:
Benzenesulfonamide,4-hydroxy-N-(3-methoxypropyl)-3-nitro-
CAS Number:
79817-62-2
Molecular Formula:
C10H14N2O6S
Molecular Weight:
290.2930
IUPAC Name:
4-hydroxy-N-(3-methoxypropyl)-3-nitrobenzenesulfonamide
InChI:
InChI=1S/C10H14N2O6S/c1-18-6-2-5-11-19(16,17)8-3-4-10(13)9(7-8)12(14)15/h3-4,7,11,13H,2,5-6H2,1H3
InChI Key:
BPBAFZGGKPLCHG-UHFFFAOYSA-N
SMILES:
COCCCNS(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])O
EC Number:
279-292-9
Properties
Complexity:
388
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.057g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.29g/mol
Monoisotopic Mass:
290.057g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
130A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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