2-Chloro-5-hydroxybenzenesulfonyl Chloride - CAS 1261449-72-2
Catalog: |
BB070445 |
Product Name: |
2-Chloro-5-hydroxybenzenesulfonyl Chloride |
CAS: |
1261449-72-2 |
Synonyms: |
2-Chloro-5-hydroxybenzene-1-sulfonyl Chloride |
IUPAC Name: | 2-chloro-5-hydroxybenzenesulfonyl chloride |
Description: | 2-Chloro-5-hydroxybenzenesulfonyl Chloride is an intermediates in the synthesis of 5-hydroxy Chlorosulfuron (H839405) which is a derivative of Chlorosulfuron(C384978). Chlorsulfuron blocks the biosynthesis of valine [72- 18- 4] and isoleucine [73- 32- 5] in plants. |
Molecular Weight: | 227.06 |
Molecular Formula: | C6H4Cl2O3S |
Canonical SMILES: | C1=CC(=C(C=C1O)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C6H4Cl2O3S/c7-5-2-1-4(9)3-6(5)12(8,10)11/h1-3,9H |
InChI Key: | OUPMBDZFNHJYJE-UHFFFAOYSA-N |
References: | Thomas, R. Plant Physiol., 75, 827 (1984). |
Complexity: | 246 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 225.9258205 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 225.9258205 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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