Basic information
- CAS
54176-51-1- Standard SMILES
COC(=O)c1cc(Br)c(O)c(C(=O)OC)c1- InChIKey
YAADXGAEGPUASD-UHFFFAOYSA-N- Molecular formula
- C10H9BrO5
- Average molar mass
- 289.08 g/mol
- Monoisotopic mass
- 287.96333549
Names & identifiers
- Preferred name
- Dimethyl 5-bromo-4-hydroxybenzene-1,3-dicarboxylate
- IUPAC
- dimethyl 5-bromo-4-hydroxybenzene-1,3-dicarboxylate
Names & synonyms
54176-51-1Dimethyl 5-bromo-4-hydroxybenzene-1,3-dicarboxylateSCHEMBL402038DTXSID20729564YAADXGAEGPUASD-UHFFFAOYSA-N5-Bromo-4-hydroxyisophthalic acid dimethyl ester
Database identifiers
- CAS
54176-51-1- PubChem CID
- 58629779
- DTXSID
DTXSID20729564
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 280
Related reactions
3 records
Compound notes
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