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Home > Nitro Compounds > 89840-92-6
89840-92-6 | Benzenesulfonamide, 4-methoxy-N-methyl-2-nitro-
CAS No: 89840-92-6 Catalog No: AG003XHA MDL No:
Product Description
Catalog Number:
AG003XHA
Chemical Name:
Benzenesulfonamide, 4-methoxy-N-methyl-2-nitro-
CAS Number:
89840-92-6
Molecular Formula:
C8H10N2O5S
Molecular Weight:
246.2404
IUPAC Name:
4-methoxy-N-methyl-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C8H10N2O5S/c1-9-16(13,14)8-4-3-6(15-2)5-7(8)10(11)12/h3-5,9H,1-2H3
InChI Key:
TXYFEPWOENHTRG-UHFFFAOYSA-N
SMILES:
COc1ccc(c(c1)[N+](=O)[O-])S(=O)(=O)NC
Properties
Complexity:
344
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.031g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.237g/mol
Monoisotopic Mass:
246.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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