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Basic information
- Standard SMILES
CCOC(=O)CC(=O)c1c(C)cc(C)c(Br)c1C- InChIKey
CFRDPXORGILMBQ-UHFFFAOYSA-N- Molecular formula
- C14H17BrO3
- Average molar mass
- 313.19 g/mol
- Monoisotopic mass
- 312.03611
Names & identifiers
- Preferred name
- Ethyl 3-(3-bromo-2,4,6-trimethylphenyl)-3-oxopropanoate
- IUPAC
- ethyl 3-(3-bromo-2,4,6-trimethylphenyl)-3-oxopropanoate
Names & synonyms
NSC174068NSC-174068
Database identifiers
- PubChem CID
- 300014
Properties
Computed structural propertiesFilling in
- XLogP
- 3.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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