Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(Oc2ccccc2Cl)c1- InChIKey
VHTROTGNLZOTCQ-UHFFFAOYSA-N- Molecular formula
- C16H13ClO5
- Average molar mass
- 320.72 g/mol
Names & identifiers
- Preferred name
- 2-(2-Chlorophenoxy)-terephthalic acid dimethyl ester
- IUPAC
- dimethyl 2-(2-chlorophenoxy)benzene-1,4-dicarboxylate
Names & synonyms
SCHEMBL4504197VHTROTGNLZOTCQ-UHFFFAOYSA-NDB-213595Dimethyl 2-(2-chlorophenoxy)benzene-1,4-dioate2-(2-Chlorophenoxy)-terephthalic acid dimethyl ester893416-03-0
Database identifiers
- PubChem CID
- 57436680
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 400
Related reactions
1 records
Compound notes
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