2,3-Dibromo-2-ethylbutanoic acid
Basic information
- CAS
6335-72-4- Standard SMILES
CCC(Br)(C(=O)O)C(C)Br- InChIKey
BJIXPDUJLORJJE-UHFFFAOYSA-N- Molecular formula
- C6H10Br2O2
- Average molar mass
- 273.95 g/mol
- Monoisotopic mass
- 271.90475
Names & identifiers
- Preferred name
- 2,3-Dibromo-2-ethylbutanoic acid
- IUPAC
- 2,3-dibromo-2-ethylbutanoic acid
- English name
- 2,3-dibromo-2-ethyl-butanoic acid
- Molecular formula
- C6H10Br2O2
- Molecular weight
- 273.95
Names & synonyms
6335-72-42,3-dibromo-2-ethylbutanoic acidNSC38805SCHEMBL28392033DTXSID30284755NSC-388052,3-dibromo-2-ethyl-butanoic acidButanoic acid, 2,3-dibromo-2-ethyl-
Database identifiers
- CAS
6335-72-4- PubChem CID
- 236376
- DTXSID
DTXSID30284755
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 116 · 116-117 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Boiling point
- 279.1 · 279.1±25.0 °C(Predicted)
- Density
- 1.838 · 1.838±0.06 g/cm3(Predicted)
- pka
- 2.19 · 2.19±0.20(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…