Basic information
- CAS
56052-27-8- Standard SMILES
CCCCCC(=O)Oc1ccc(Br)cc1- InChIKey
JRSQXNDXVKDBEK-UHFFFAOYSA-N- Molecular formula
- C12H15BrO2
- Average molar mass
- 271.15 g/mol
- Monoisotopic mass
- 270.02554
Names & identifiers
- Preferred name
- 4-Bromophenyl hexanoate
- IUPAC
- (4-bromophenyl) hexanoate
- English name
- Hexanoic acid 4-bromophenyl ester
- Molecular formula
- C12H15BrO2
- Molecular weight
- 271.15
Names & synonyms
4-Bromophenyl hexanoateHexanoic acid, 4-bromophenyl ester56052-27-8RefChem:291133JRSQXNDXVKDBEK-UHFFFAOYSA-N4-Bromophenyl hexanoate #SCHEMBL8674996DTXSID101314005Hexanoic acid 4-bromophenyl ester
Database identifiers
- CAS
56052-27-8- PubChem CID
- 538705
- DTXSID
DTXSID101314005- Nikkaji
- J140.388E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 186
Physicochemical properties
- Boiling point
- 139 · 139-140 °C(Press: 2 Torr)
- Density
- 1.295 · 1.295±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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