2-(4-Bromophenyl)-2-oxoethyl heptanoate
Basic information
- CAS
7498-81-9- Standard SMILES
CCCCCCC(=O)OCC(=O)c1ccc(Br)cc1- InChIKey
NCJDKTGJWRJQDV-UHFFFAOYSA-N- Molecular formula
- C15H19BrO3
- Average molar mass
- 327.21 g/mol
- Monoisotopic mass
- 326.05176
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl heptanoate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] heptanoate
Names & synonyms
7498-81-9NSC 4075882-(4-BROMOPHENYL)-2-OXOETHYL HEPTANOATENSC407588DTXSID00324718NSC-407588
Database identifiers
- CAS
7498-81-9- PubChem CID
- 348322
- DTXSID
DTXSID00324718- Nikkaji
- J1.396.190E
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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