4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate
Basic information
- CAS
23453-98-7- Standard SMILES
COC(C)(C)CC(C)OS(=O)(=O)c1ccc(Br)cc1- InChIKey
PMRGKKKILGALMX-UHFFFAOYSA-N- Molecular formula
- C13H19BrO4S
- Average molar mass
- 351.26 g/mol
- Monoisotopic mass
- 350.01874
Names & identifiers
- Preferred name
- 4-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonate
- IUPAC
- (4-methoxy-4-methylpentan-2-yl) 4-bromobenzenesulfonate
- English name
- 4-Bromobenzenesulfonic acid 3-methoxy-1,3-dimethylbutyl ester
- Molecular formula
- C13H19BrO4S
- Molecular weight
- 351.26
Names & synonyms
23453-98-7DTXSID009461114-Methoxy-4-methylpentan-2-yl 4-bromobenzene-1-sulfonateRefChem:1071012DTXCID501374403BRN 2144212Benzenesulfonic acid, p-bromo-, 4-methoxy-4-methyl-2-pentyl ester4-Methoxy-4-methyl-2-pentyl-p-bromobenzenesulfonate4-Bromobenzenesulfonic acid 3-methoxy-1,3-dimethylbutyl esterBenzenesulfonic acid, 4-bromo-, 3-methoxy-1,3-dimethylbutyl ester
Database identifiers
- CAS
23453-98-7- PubChem CID
- 211600
- DTXSID
DTXSID00946111- Nikkaji
- J49.101B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 367
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Related reactions
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Compound notes
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