2-Chloro-5-cyanobenzenesulfonyl Chloride - CAS 942199-56-6
Catalog: |
BB041232 |
Product Name: |
2-Chloro-5-cyanobenzenesulfonyl Chloride |
CAS: |
942199-56-6 |
Synonyms: |
2-chloro-5-cyanobenzenesulfonyl chloride; 2-chloro-5-cyanobenzenesulfonyl chloride |
IUPAC Name: | 2-chloro-5-cyanobenzenesulfonyl chloride |
Description: | 2-Chloro-5-cyanobenzenesulfonyl Chloride (CAS# 942199-56-6) is a useful research chemical. |
Molecular Weight: | 236.08 |
Molecular Formula: | C7H3Cl2NO2S |
Canonical SMILES: | C1=CC(=C(C=C1C#N)S(=O)(=O)Cl)Cl |
InChI: | InChI=1S/C7H3Cl2NO2S/c8-6-2-1-5(4-10)3-7(6)13(9,11)12/h1-3H |
InChI Key: | IUVMCIXSPYERDI-UHFFFAOYSA-N |
LogP: | 3.21998 |
Publication Number | Title | Priority Date |
US-10357504-B2 | Thromboxane receptor antagonists | 20150616 |
US-2016368867-A1 | Thromboxane receptor antagonists | 20150616 |
US-2018179152-A1 | Thromboxane receptor antagonists | 20150616 |
US-9932304-B2 | Thromboxane receptor antagonists | 20150616 |
US-10966994-B2 | Thromboxane receptor antagonists | 20150616 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 234.9261549 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 234.9261549 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 66.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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