Methyl 2-bromo-2-ethylbutyrate
Basic information
- CAS
2399-18-0- Standard SMILES
CCC(Br)(CC)C(=O)OC- InChIKey
GYXGJKGWKZTXMX-UHFFFAOYSA-N- Molecular formula
- C7H13BrO2
- Average molar mass
- 209.08 g/mol
- Monoisotopic mass
- 208.00989
Names & identifiers
- Preferred name
- Methyl 2-bromo-2-ethylbutyrate
- IUPAC
- methyl 2-bromo-2-ethylbutanoate
- English name
- methyl 2-bromo-2-ethylbutyrate
- Molecular formula
- C7H13BrO2
- Molecular weight
- 209.08092
Names & synonyms
methyl 2-bromo-2-ethylbutanoateMethyl 2-bromo-2-ethylbutyrate2399-18-0EINECS 219-267-1DGX57H4GPSSCHEMBL11533675DTXSID90178707GYXGJKGWKZTXMX-UHFFFAOYSA-N2-Bromo-2-ethyl-butyric acid methyl esterDB-343248NS00027529Butanoic acid, 2-bromo-2-ethyl-, methyl ester
Show more names
2-Bromo-2-ethylbutanoic acid methyl ester
Butyric acid, 2-bromo-2-ethyl-, methyl ester
Database identifiers
- CAS
2399-18-0- PubChem CID
- 75456
- DTXSID
DTXSID90178707- UNII
- DGX57H4GPS
- EC Number
- 219-267-1
- Nikkaji
- J216.041B
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 119
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- FDA UNII
- 57 H4GPS · DGX57H4GPS
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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