187022-11-3
Product Name:
ACETOCHLOR ESA SODIUM SALT
Formula:
C14H21NO5S
Synonyms:
2-[(Ethoxymethyl)(2-ethyl-6-methylphenyl) amino]-2-oxo-ethanesulfonic acid sodium salt;Acetochlor ethanesulfonic acid sodium salt
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COMPUTED DESCRIPTORS
| Molecular Weight | 315.39 g/mol |
|---|---|
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 7 |
| Exact Mass | 315.11404394 g/mol |
| Monoisotopic Mass | 315.11404394 g/mol |
| Topological Polar Surface Area | 92.3 Ų |
| Heavy Atom Count | 21 |
| Formal Charge | 0 |
| Complexity | 431 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Acetochlor ESA is an organosulfonic acid that is 2-oxoethanesulfonic acid substituted by an (ethoxymethyl)(2-ethyl-6-methylphenyl)amino group at position 2. It has a role as a marine xenobiotic metabolite. It is an organosulfonic acid, an ether and an aromatic amide.