(4-Cyclohexylcyclohexyl) 2-bromoacetate
Basic information
- CAS
59956-70-6- Standard SMILES
O=C(CBr)OC1CCC(C2CCCCC2)CC1- InChIKey
TVXSMIQAOOUZBR-UHFFFAOYSA-N- Molecular formula
- C14H23BrO2
- Average molar mass
- 303.23 g/mol
- Monoisotopic mass
- 302.08814
Names & identifiers
- Preferred name
- (4-Cyclohexylcyclohexyl) 2-bromoacetate
- IUPAC
- (4-cyclohexylcyclohexyl) 2-bromoacetate
Names & synonyms
59956-70-6(4-cyclohexylcyclohexyl) 2-bromoacetateNSC406099DTXSID50324248NSC-406099[1,1'-Bi(cyclohexan)]-4-yl bromoacetate
Database identifiers
- CAS
59956-70-6- PubChem CID
- 347429
- DTXSID
DTXSID50324248
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 241
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Related reactions
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Compound notes
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