Basic information
- CAS
22980-28-5- Standard SMILES
CCCCC(=O)OCC(=O)c1ccc(Br)cc1- InChIKey
VEDRYOHPAXBVIU-UHFFFAOYSA-N- Molecular formula
- C13H15BrO3
- Average molar mass
- 299.16 g/mol
- Monoisotopic mass
- 298.02046
Names & identifiers
- Preferred name
- 4-Bromophenacyl pentanoate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] pentanoate
Names & synonyms
4-Bromophenacyl pentanoate2-(4-Bromophenyl)-2-oxoethyl pentanoate22980-28-5p-Bromophenacyl pentanoateDTXSID80325182Valeric acid, p-bromophenacyl esterRefChem:291127DTXCID10276299VEDRYOHPAXBVIU-UHFFFAOYSA-N[2-(4-bromophenyl)-2-oxoethyl] pentanoateCBDivE_001800NSC409086
Show more names
NSC-409086SR-01000195078SR-01000195078-1
Database identifiers
- CAS
22980-28-5- PubChem CID
- 349403
- DTXSID
DTXSID80325182
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 257
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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