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Home > Nitro Compounds > 80259-08-1
80259-08-1 | N-(4-Methyl-3-nitrophenyl);methanesulfonamide
CAS No: 80259-08-1 Catalog No: AG005C9E MDL No:MFCD00089145
Product Description
Catalog Number:
AG005C9E
Chemical Name:
N-(4-Methyl-3-nitrophenyl);methanesulfonamide
CAS Number:
80259-08-1
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
MDL Number:
MFCD00089145
IUPAC Name:
N-(4-methyl-3-nitrophenyl)methanesulfonamide
InChI:
InChI=1S/C8H10N2O4S/c1-6-3-4-7(9-15(2,13)14)5-8(6)10(11)12/h3-5,9H,1-2H3
InChI Key:
WZFHLQAYSGSNKO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)NS(=O)(=O)C
Properties
Complexity:
330
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
230.036g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.238g/mol
Monoisotopic Mass:
230.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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