Basic information
- CAS
5433-23-8- Standard SMILES
Cc1ccc(S(=O)(=O)OC2CCCCC2Br)cc1- InChIKey
BFTYQNCPCZHZSQ-UHFFFAOYSA-N- Molecular formula
- C13H17BrO3S
- Average molar mass
- 333.24 g/mol
- Monoisotopic mass
- 332.00818
Names & identifiers
- Preferred name
- (2-Bromocyclohexyl) 4-methylbenzenesulfonate
- IUPAC
- (2-bromocyclohexyl) 4-methylbenzenesulfonate
- English name
- Cyclohexanol, 2-bromo-,1-(4-methylbenzenesulfonate)
- Molecular formula
- C13H17BrO3S
- Molecular weight
- 333.24
Names & synonyms
5433-23-8(2-bromocyclohexyl) 4-methylbenzenesulfonateNSC13675Cyclohexanol, 2-bromo-,1-(4-methylbenzenesulfonate)DTXSID40279672NSC-13675AKOS024339272CIS-2-BROMOCYCLOHEXANOL P-TOSYLATEDS-0025972-Bromocyclohexyl 4-methylbenzene-1-sulfonatetrans-2-bromocyclohexyl toluene-p-sulphonate
Database identifiers
- CAS
5433-23-8- PubChem CID
- 224847
- DTXSID
DTXSID40279672
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 430.469 · 430.469±38.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.472 · 1.472±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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