Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
Basic information
- CAS
62547-81-3- Standard SMILES
CCOC(=O)C1(CCCBr)CCCCC1=O- InChIKey
VWEWMLZXOZGHMI-UHFFFAOYSA-N- Molecular formula
- C12H19BrO3
- Average molar mass
- 291.18 g/mol
- Monoisotopic mass
- 290.05176
Names & identifiers
- Preferred name
- Ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
- IUPAC
- ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate
Names & synonyms
ethyl 1-(3-bromopropyl)-2-oxocyclohexane-1-carboxylate62547-81-3DTXSID00301928RefChem:341959DTXCID30253062NSC147467NSC-147467
Database identifiers
- CAS
62547-81-3- PubChem CID
- 287432
- DTXSID
DTXSID00301928- Nikkaji
- J339.197C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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