Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
Basic information
- CAS
66709-41-9- Standard SMILES
CCOC(=O)C1(C)CCC(Br)C1=O- InChIKey
MPCAUOHTARGQIA-UHFFFAOYSA-N- Molecular formula
- C9H13BrO3
- Average molar mass
- 249.1 g/mol
- Monoisotopic mass
- 248.00481
Names & identifiers
- Preferred name
- Ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylate
- IUPAC
- ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylate
Names & synonyms
66709-41-9ethyl 3-bromo-1-methyl-2-oxocyclopentanecarboxylateNSC120503ethyl 3-bromo-1-methyl-2-oxocyclopentane-1-carboxylateDTXSID40298085Cyclopentanecarboxylicacid, 3-bromo-1-methyl-2-oxo-, ethyl esterNSC-120503DS-001172
Database identifiers
- CAS
66709-41-9- PubChem CID
- 274455
- DTXSID
DTXSID40298085
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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