2,2-Dimethylpentyl 2-bromoacetate
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Basic information
- CAS
5458-22-0- Standard SMILES
CCCC(C)(C)COC(=O)CBr- InChIKey
GVGCMOPMQGVNLP-UHFFFAOYSA-N- Molecular formula
- C9H17BrO2
- Average molar mass
- 237.13 g/mol
- Monoisotopic mass
- 236.04119
Names & identifiers
- Preferred name
- 2,2-Dimethylpentyl 2-bromoacetate
- IUPAC
- 2,2-dimethylpentyl 2-bromoacetate
- English name
- 2,2-dimethylpentyl 2-bromoacetate
- Molecular formula
- C9H17BrO2
- Molecular weight
- 237.13
Names & synonyms
5458-22-02,2-dimethylpentyl 2-bromoacetate2,2-dimethylpentyl bromoacetateNSC23535Aceticacid, 2-bromo-, 2,2-dimethylpentyl esterDTXSID20281935NSC-23535Acetic acid, 2-bromo-, 2,2-dimethylpentyl ester
Database identifiers
- CAS
5458-22-0- PubChem CID
- 229696
- DTXSID
DTXSID20281935
Properties
Computed structural propertiesFilling in
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 143
Related reactions
0 records
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Compound notes
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