200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 1235-89-8
1235-89-8 | Benzene, 1,1'-sulfonylbis[4-methyl-3-nitro-
CAS No: 1235-89-8 Catalog No: AG000KOR MDL No:
Product Description
Catalog Number:
AG000KOR
Chemical Name:
Benzene, 1,1'-sulfonylbis[4-methyl-3-nitro-
CAS Number:
1235-89-8
Molecular Formula:
C14H12N2O6S
Molecular Weight:
336.3199
IUPAC Name:
1-methyl-4-(4-methyl-3-nitrophenyl)sulfonyl-2-nitrobenzene
InChI:
InChI=1S/C14H12N2O6S/c1-9-3-5-11(7-13(9)15(17)18)23(21,22)12-6-4-10(2)14(8-12)16(19)20/h3-8H,1-2H3
InChI Key:
XMJOAZKUTPHAQT-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(ccc1C)S(=O)(=O)c1ccc(c(c1)[N+](=O)[O-])C
NSC Number:
85544
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
336.042g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
336.318g/mol
Monoisotopic Mass:
336.042g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
134A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Toxicology and carcinogenesis studies of o-nitrotoluene sulfone (CAS no. 88-72-2) in F344/N rats and B6C3F(1) mice (feed studies). | National Toxicology Program technical report series 20020501 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.