2-Bromoethyl 3-methylbenzoate
Basic information
- CAS
6639-17-4- Standard SMILES
Cc1cccc(C(=O)OCCBr)c1- InChIKey
XCZBZHZTCUMIFA-UHFFFAOYSA-N- Molecular formula
- C10H11BrO2
- Average molar mass
- 243.1 g/mol
- Monoisotopic mass
- 241.99424
Names & identifiers
- Preferred name
- 2-Bromoethyl 3-methylbenzoate
- IUPAC
- 2-bromoethyl 3-methylbenzoate
Names & synonyms
6639-17-42-bromoethyl 3-methylbenzoateNSC17881SCHEMBL27476587DTXSID30280651NSC-17881
Database identifiers
- CAS
6639-17-4- PubChem CID
- 226899
- DTXSID
DTXSID30280651
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
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Compound notes
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