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Home > Nitro Compounds > 1870769-42-8
1870769-42-8 | 5-methoxy-4-methyl-2-nitrobenzene-1-sulfonamide
CAS No: 1870769-42-8 Catalog No: AG01BWHV MDL No:MFCD30477140
Product Description
Catalog Number:
AG01BWHV
Chemical Name:
5-methoxy-4-methyl-2-nitrobenzene-1-sulfonamide
CAS Number:
1870769-42-8
Molecular Formula:
C8H10N2O5S
Molecular Weight:
246.2404
MDL Number:
MFCD30477140
IUPAC Name:
5-methoxy-4-methyl-2-nitrobenzenesulfonamide
InChI:
InChI=1S/C8H10N2O5S/c1-5-3-6(10(11)12)8(16(9,13)14)4-7(5)15-2/h3-4H,1-2H3,(H2,9,13,14)
InChI Key:
QOHFNZROLXLVOM-UHFFFAOYSA-N
SMILES:
COc1cc(c(cc1C)[N+](=O)[O-])S(=O)(=O)N
Properties
Complexity:
358
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:
2
Topological Polar Surface Area:
124A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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