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132414-04-1 | Benzenamine, 3,5-dimethyl-4-[(nitromethyl)sulfonyl]-
CAS No: 132414-04-1 Catalog No: AG0010NW MDL No:MFCD00895251
Product Description
Catalog Number:
AG0010NW
Chemical Name:
Benzenamine, 3,5-dimethyl-4-[(nitromethyl)sulfonyl]-
CAS Number:
132414-04-1
Molecular Formula:
C9H12N2O4S
Molecular Weight:
244.2676
MDL Number:
MFCD00895251
IUPAC Name:
3,5-dimethyl-4-(nitromethylsulfonyl)aniline
InChI:
InChI=1S/C9H12N2O4S/c1-6-3-8(10)4-7(2)9(6)16(14,15)5-11(12)13/h3-4H,5,10H2,1-2H3
InChI Key:
FIMPGOJEDMNMHL-UHFFFAOYSA-N
SMILES:
Cc1cc(N)cc(c1S(=O)(=O)C[N+](=O)[O-])C
Properties
Complexity:
345
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.052g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
244.265g/mol
Monoisotopic Mass:
244.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Literature
| Title | Journal |
|---|---|
| Elevated lipid peroxidation and DNA oxidation in nerve from diabetic rats: effects of aldose reductase inhibition, insulin, and neurotrophic factors. | Metabolism: clinical and experimental 20080701 |
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