Valeric acid, 2-propyl-, 2,2,2-tribromoethyl ester
Basic information
- CAS
22632-64-0- Standard SMILES
CCCC(CCC)C(=O)OCC(Br)(Br)Br- InChIKey
CXKJWSQBJXTVQR-UHFFFAOYSA-N- Molecular formula
- C10H17Br3O2
- Average molar mass
- 408.95 g/mol
- Monoisotopic mass
- 405.87787
Names & identifiers
- Preferred name
- Valeric acid, 2-propyl-, 2,2,2-tribromoethyl ester
- IUPAC
- 2,2,2-tribromoethyl 2-propylpentanoate
Names & synonyms
Valeric acid, 2-propyl-, 2,2,2-tribromoethyl ester2,2,2-Tribromoethyl 2-propylvalerate22632-64-02-Propylvaleric acid 2,2,2-tribromoethyl esterPentanoic acid, 2-propyl-, 2,2,2-tribromoethyl esterDTXSID50177175RefChem:388276DTXCID90996662,2,2-tribromoethyl 2-propylpentanoate
Database identifiers
- CAS
22632-64-0- PubChem CID
- 211196
- DTXSID
DTXSID50177175
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 184
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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