2-Bromoethyl 2-methylbenzoate
Basic information
- CAS
6639-16-3- Standard SMILES
Cc1ccccc1C(=O)OCCBr- InChIKey
HLTSTDJOZGFHNE-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-Bromoethyl 2-methylbenzoate
- IUPAC
- 2-bromoethyl 2-methylbenzoate
- English name
- 2-bromoethyl 2-methylbenzoate
- Molecular formula
- C10H11BrO2
- Molecular weight
- 243.1
Names & synonyms
2-bromoethyl 2-methylbenzoate6639-16-3NSC17880SCHEMBL27421728DTXSID70280650NSC-17880Benzoic acid, 2-methyl-, 2-bromoethyl ester
Database identifiers
- CAS
6639-16-3- PubChem CID
- 226898
- DTXSID
DTXSID70280650
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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