Benzyl 3-chloro-2,4,6-trihydroxybenzoate
Basic information
- CAS
131524-46-4- Standard SMILES
O=C(OCc1ccccc1)c1c(O)cc(O)c(Cl)c1O- InChIKey
FUMNNYQLNGABBJ-UHFFFAOYSA-N- Molecular formula
- C14H11ClO5
- Average molar mass
- 294.68 g/mol
- Monoisotopic mass
- 294.0295011
Names & identifiers
- Preferred name
- Benzyl 3-chloro-2,4,6-trihydroxybenzoate
- IUPAC
- benzyl 3-chloro-2,4,6-trihydroxybenzoate
Names & synonyms
Benzyl 3-chloro-2,4,6-trihydroxybenzoate131524-46-4DTXSID90563654RefChem:328460DTXCID00514430
Database identifiers
- CAS
131524-46-4- PubChem CID
- 14756268
- DTXSID
DTXSID90563654
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 87 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 332
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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