(2-Bromocyclohexyl) 4-bromobenzenesulfonate
Basic information
- CAS
41914-96-9- Standard SMILES
O=S(=O)(OC1CCCCC1Br)c1ccc(Br)cc1- InChIKey
JLEZPLQVFNEYQB-UHFFFAOYSA-N- Molecular formula
- C12H14Br2O3S
- Average molar mass
- 398.11 g/mol
- Monoisotopic mass
- 395.90304
Names & identifiers
- Preferred name
- (2-Bromocyclohexyl) 4-bromobenzenesulfonate
- IUPAC
- (2-bromocyclohexyl) 4-bromobenzenesulfonate
Names & synonyms
41914-96-9(2-bromocyclohexyl) 4-bromobenzenesulfonateNSC2451831-bromo-4-(2-bromocyclohexyl)oxysulfonyl-benzeneDTXSID00311769NSC-245183DS-0027742-Bromocyclohexyl 4-bromobenzene-1-sulfonate
Database identifiers
- CAS
41914-96-9- PubChem CID
- 316799
- DTXSID
DTXSID00311769
Properties
Computed structural properties
- XLogP
- 4
- 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
- 358
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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