Basic information
- CAS
63867-17-4- Standard SMILES
CCC(CC)C(=O)OCC(Br)(Br)Br- InChIKey
KRTPZDITOONUEW-UHFFFAOYSA-N- Molecular formula
- C8H13Br3O2
- Average molar mass
- 380.9 g/mol
- Monoisotopic mass
- 377.84657
Names & identifiers
- Preferred name
- Butyric acid, 2-ethyl-, 2,2,2-tribromoethyl ester
- IUPAC
- 2,2,2-tribromoethyl 2-ethylbutanoate
- English name
- 2-Ethylbutanoic acid 2,2,2-tribromoethyl ester
- Molecular formula
- C8H13Br3O2
- Molecular weight
- 380.9
Names & synonyms
Tribromoethyl 2-ethylbutyrate63867-17-42-Ethylbutyric acid, ester with tribromoethanolBUTYRIC ACID, 2-ETHYL-, 2,2,2-TRIBROMOETHYL ESTERDTXSID10213301RefChem:331267DTXCID701357922,2,2-tribromoethyl 2-ethylbutanoate2-Ethylbutanoic acid 2,2,2-tribromoethyl esterDB-3140352-Ethylbutyric acid 2,2,2-tribromoethyl esterButanoic acid, 2-ethyl-, 2,2,2-tribromoethyl ester
Database identifiers
- CAS
63867-17-4- PubChem CID
- 44848
- DTXSID
DTXSID10213301- Nikkaji
- J67.374I
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 161
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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