1,4-Dimethyl 2-bromo-2-methylbutanedioate
Basic information
- CAS
29555-26-8- Standard SMILES
COC(=O)CC(C)(Br)C(=O)OC- InChIKey
GCJLYNDDFZMIOC-UHFFFAOYSA-N- Molecular formula
- C7H11BrO4
- Average molar mass
- 239.06 g/mol
- Monoisotopic mass
- 237.98407
Names & identifiers
- Preferred name
- 1,4-Dimethyl 2-bromo-2-methylbutanedioate
- IUPAC
- dimethyl 2-bromo-2-methylbutanedioate
Names & synonyms
29555-26-81,4-Dimethyl 2-bromo-2-methylbutanedioateRefChem:220634dimethyl 2-bromo-2-methylbutanedioate2-Bromo-2-methylsuccinic acid, dimethyl esterSCHEMBL40086269GCJLYNDDFZMIOC-UHFFFAOYSA-NDTXSID801270587Dimethyl 2-bromo-2-methylsuccinate #
Database identifiers
- CAS
29555-26-8- PubChem CID
- 581303
- DTXSID
DTXSID801270587
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 192
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Compound notes
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