3-(Methylsulfonyl)-2-nitroaniline - CAS 1338483-42-3
Catalog: |
BB007826 |
Product Name: |
3-(Methylsulfonyl)-2-nitroaniline |
CAS: |
1338483-42-3 |
Synonyms: |
3-methylsulfonyl-2-nitroaniline; 3-methylsulfonyl-2-nitroaniline |
IUPAC Name: | 3-methylsulfonyl-2-nitroaniline |
Description: | 3-(Methylsulfonyl)-2-nitroaniline (CAS# 1338483-42-3 ) is a useful research chemical. |
Molecular Weight: | 216.21 |
Molecular Formula: | C7H8N2O4S |
Canonical SMILES: | CS(=O)(=O)C1=CC=CC(=C1[N+](=O)[O-])N |
InChI: | InChI=1S/C7H8N2O4S/c1-14(12,13)6-4-2-3-5(8)7(6)9(10)11/h2-4H,8H2,1H3 |
InChI Key: | JZSYWPDRBGMYLL-UHFFFAOYSA-N |
LogP: | 2.76570 |
Publication Number | Title | Priority Date |
AU-2011235031-A1 | Heterocyclic compounds and their uses | 20100402 |
AU-2011235031-B2 | Heterocyclic compounds and their uses | 20100402 |
CA-2793897-A1 | Heterocyclic compounds and their uses | 20100402 |
EP-2552908-A2 | Heterocyclic compounds and their uses | 20100402 |
JP-2013540099-A | Heterocyclic compounds and uses thereof | 20100402 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 216.02047791 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 216.02047791 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 114 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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