Basic information
- Standard SMILES
Cc1noc(C)c1COc1ccc(S(=O)(=O)Cl)cc1- InChIKey
WMBLNQMECZMFNG-UHFFFAOYSA-N- Molecular formula
- C12H12ClNO4S
- Average molar mass
- 301.75 g/mol
Names & identifiers
- Preferred name
- 4-((3,5-Dimethylisoxazol-4-yl)methoxy)benzene-1-sulfonyl chloride
- IUPAC
- 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzenesulfonyl chloride
Names & synonyms
936822-38-74-((3,5-Dimethylisoxazol-4-yl)methoxy)benzene-1-sulfonyl chloride4-[(3,5-dimethylisoxazol-4-yl)methoxy]benzenesulfonyl chloride4-[(3,5-Dimethylisoxazol-4-yl)methoxy]-benzenesulfonyl chloride4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzenesulfonyl chlorideMFCD087529494-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzene-1-sulfonyl chlorideSCHEMBL14831873WMBLNQMECZMFNG-UHFFFAOYSA-NALBB-004646BBL015852STK292390
Show more names
AKOS002657185VS-05049DB-357746F14700F3661934-((3,5-Dimethylisoxazol-4-yl)methoxy)benzene-1-sulfonylchloride4-{[(3,5-dimethyl-4-isoxazolyl)methyl]oxy}benzenesulfonyl chloride
Database identifiers
- PubChem CID
- 16490702
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Related reactions
21 records
Linked notes
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