2-(4-Nitrophenyl)ethanesulfonyl Chloride - CAS 80259-15-0
Catalog: |
BB036484 |
Product Name: |
2-(4-Nitrophenyl)ethanesulfonyl Chloride |
CAS: |
80259-15-0 |
Synonyms: |
2-(4-nitrophenyl)ethanesulfonyl chloride; 2-(4-nitrophenyl)ethanesulfonyl chloride |
IUPAC Name: | 2-(4-nitrophenyl)ethanesulfonyl chloride |
Description: | 2-(4-Nitrophenyl)ethanesulfonyl Chloride (CAS# 80259-15-0) is a useful research chemical. |
Molecular Weight: | 249.67 |
Molecular Formula: | C8H8ClNO4S |
Canonical SMILES: | C1=CC(=CC=C1CCS(=O)(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C8H8ClNO4S/c9-15(13,14)6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5-6H2 |
InChI Key: | LCUFMYFBIXFCMV-UHFFFAOYSA-N |
LogP: | 3.30990 |
Publication Number | Title | Priority Date |
AU-2011210349-A1 | Process for the preparation of darunavir and darunavir intermediates | 20100128 |
CA-2784398-A1 | Process for the preparation of darunavir and darunavir intermediates | 20100128 |
EP-2528923-A1 | Process for the preparation of darunavir and darunavir intermediates | 20100128 |
JP-2013518096-A | Process for the preparation of darunavir and darunavir intermediates | 20100128 |
US-2012296101-A1 | Process for the preparation of darunavir and darunavir intermediates | 20100128 |
Complexity: | 311 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 248.9862566 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 248.9862566 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 88.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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