Basic information
- CAS
7404-31-1- Standard SMILES
O=C(CO)OCC(=O)c1ccc(Br)cc1- InChIKey
CKIVALMKXYYBKD-UHFFFAOYSA-N- Molecular formula
- C10H9BrO4
- Average molar mass
- 273.08 g/mol
- Monoisotopic mass
- 271.96842
Names & identifiers
- Preferred name
- 2-(4-Bromophenyl)-2-oxoethyl glycolate
- IUPAC
- [2-(4-bromophenyl)-2-oxoethyl] 2-hydroxyacetate
Names & synonyms
7404-31-12-(4-Bromophenyl)-2-oxoethyl glycolateNSC403463DTXSID80323269NSC-4034632-(4-Bromophenyl)-2-oxoethyl hydroxyacetate
Database identifiers
- CAS
7404-31-1- PubChem CID
- 345718
- DTXSID
DTXSID80323269
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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