Basic information
- Standard SMILES
COC(=O)c1cc(Cl)ccc1C(Br)C(=O)OC- InChIKey
YYLLAEDRGUBJTM-UHFFFAOYSA-N- Molecular formula
- C11H10BrClO4
- Average molar mass
- 321.55 g/mol
- Monoisotopic mass
- 319.9451
Names & identifiers
- Preferred name
- 2-(4-Chloro-2-methoxycarbonyl-phenyl)-2-bromo-acetic acid methyl ester
- IUPAC
- methyl 2-(1-bromo-2-methoxy-2-oxoethyl)-5-chlorobenzoate
Names & synonyms
SCHEMBL15766246YYLLAEDRGUBJTM-UHFFFAOYSA-N2-(4-chloro-2-methoxycarbonyl-phenyl)-2-bromo-acetic acid methyl ester
Database identifiers
- PubChem CID
- 86722271
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 297
Related reactions
7 records
Compound notes
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