5-(tert-Butyl)-2-methoxybenzenesulfonyl Chloride - CAS 88041-83-2
Catalog: |
BB038723 |
Product Name: |
5-(tert-Butyl)-2-methoxybenzenesulfonyl Chloride |
CAS: |
88041-83-2 |
Synonyms: |
5-tert-butyl-2-methoxybenzenesulfonyl chloride; 5-tert-butyl-2-methoxybenzenesulfonyl chloride |
IUPAC Name: | 5-tert-butyl-2-methoxybenzenesulfonyl chloride |
Description: | 5-(tert-Butyl)-2-methoxybenzenesulfonyl Chloride (CAS# 88041-83-2) is a useful research chemical. |
Molecular Weight: | 262.75 |
Molecular Formula: | C11H15ClO3S |
Canonical SMILES: | CC(C)(C)C1=CC(=C(C=C1)OC)S(=O)(=O)Cl |
InChI: | InChI=1S/C11H15ClO3S/c1-11(2,3)8-5-6-9(15-4)10(7-8)16(12,13)14/h5-7H,1-4H3 |
InChI Key: | MMKJABSTFRSIQT-UHFFFAOYSA-N |
MDL: | MFCD08457535 |
LogP: | 4.00100 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P271, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020039945-A1 | Compounds | 20180620 |
WO-2019243491-A1 | Compounds | 20180620 |
TW-201321384-A | Substituted octahydropyrrolo[1,2-a]pyridinium sulfonamide as a calcium channel blocker | 20110929 |
US-2013085141-A1 | SUBSTITUTED OCTAHYDROPYRROLO[1,2-a]PYRAZINE SULFONAMIDES AS CALCIUM CHANNEL BLOCKERS | 20110929 |
US-8648074-B2 | Substituted octahydropyrrolo[1,2-a]pyrazine sulfonamides as calcium channel blockers | 20110929 |
Complexity: | 326 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0430432 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0430432 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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