2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}benzoic acid
Basic information
- CAS
52160-84-6- Standard SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)Oc1ccccc1C(=O)O- InChIKey
IUARHVXKYGPXEP-UHFFFAOYSA-N- Molecular formula
- C17H15ClO5
- Average molar mass
- 334.7 g/mol
- Monoisotopic mass
- 334.0608013
Names & identifiers
- Preferred name
- 2-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}benzoic acid
- IUPAC
- 2-[2-(4-chlorophenoxy)-2-methylpropanoyl]oxybenzoic acid
Names & synonyms
52160-84-6CHEMBL175707DTXSID306586392-{[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy}benzoic acid
Database identifiers
- CAS
52160-84-6- PubChem CID
- 44387166
- DTXSID
DTXSID30658639- ChEMBL
CHEMBL175707
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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