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Home > Nitro Compounds > 85952-29-0
85952-29-0 | N-Methyl-1-(4-nitrophenyl)methanesulfonamide
CAS No: 85952-29-0 Catalog No: AG003T6W MDL No:MFCD00277775
Product Description
Catalog Number:
AG003T6W
Chemical Name:
N-Methyl-1-(4-nitrophenyl)methanesulfonamide
CAS Number:
85952-29-0
Molecular Formula:
C8H10N2O4S
Molecular Weight:
230.2410
MDL Number:
MFCD00277775
IUPAC Name:
N-methyl-1-(4-nitrophenyl)methanesulfonamide
InChI:
InChI=1S/C8H10N2O4S/c1-9-15(13,14)6-7-2-4-8(5-3-7)10(11)12/h2-5,9H,6H2,1H3
InChI Key:
KZWPBAASZYQWIV-UHFFFAOYSA-N
SMILES:
CNS(=O)(=O)Cc1ccc(cc1)[N+](=O)[O-]
EC Number:
617-784-0
Properties
Complexity:
309
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:
3
Topological Polar Surface Area:
100A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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