Basic information
- CAS
63867-08-3- Standard SMILES
CCC(Br)(CC)C(=O)OCC(Br)(Br)Br- InChIKey
CUWZHNSIPTVXMT-UHFFFAOYSA-N- Molecular formula
- C8H12Br4O2
- Average molar mass
- 459.8 g/mol
- Monoisotopic mass
- 455.75708
Names & identifiers
- Preferred name
- Butyric acid, 2-bromo-2-ethyl-, 2,2,2-tribromoethyl ester
- IUPAC
- 2,2,2-tribromoethyl 2-bromo-2-ethylbutanoate
- English name
- 2-Bromo-2-ethylbutyric acid 2,2,2-tribromoethyl ester
- Molecular weight
- 0
Names & synonyms
63867-08-3Tribromoethyl 2-bromo-2-ethylbutyrateBUTYRIC ACID, 2-BROMO-2-ETHYL-, 2,2,2-TRIBROMOETHYL ESTER2-Bromo-2-ethylbutyric acid, ester with tribromoethanolDTXSID20213296RefChem:331265DTXCID201357872,2,2-tribromoethyl 2-bromo-2-ethylbutanoate2-Bromo-2-ethylbutyric acid 2,2,2-tribromoethyl esterDB-313608
Database identifiers
- CAS
63867-08-3- PubChem CID
- 44839
- DTXSID
DTXSID20213296- Nikkaji
- J65.864B
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 196
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…