Basic information
- CAS
79318-19-7- Standard SMILES
C#CCOC(=O)c1ccc(Br)cc1- InChIKey
ZCODCUOOAHQHAW-UHFFFAOYSA-N- Molecular formula
- C10H7BrO2
- Average molar mass
- 239.06 g/mol
- Monoisotopic mass
- 237.96294
Names & identifiers
- Preferred name
- Benzoic acid, 4-bromo-, 2-propynyl ester
- IUPAC
- prop-2-ynyl 4-bromobenzoate
Names & synonyms
Benzoic acid, 4-bromo-, 2-propynyl ester79318-19-7DTXSID80467516RefChem:327531DTXCID70418335PROP-2-YN-1-YL 4-BROMOBENZOATEpropargyl p-bromobenzoate
Database identifiers
- CAS
79318-19-7- PubChem CID
- 11492425
- DTXSID
DTXSID80467516- Nikkaji
- J2.244.335F
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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