Basic information
- Standard SMILES
COC(=O)c1ccc(C(=O)[O-])cc1Cl- InChIKey
IHWMWEIAAARWJH-UHFFFAOYSA-M- Molecular formula
- C9H6ClO4-
- Average molar mass
- 213.59 g/mol
Names & identifiers
- Preferred name
- 1,4-Benzenedicarboxylic acid, 2-chloro-, 1-methyl ester
- IUPAC
- 3-chloro-4-methoxycarbonylbenzoate
Names & synonyms
1,4-Benzenedicarboxylic acid, 2-chloro-, 1-methyl esterIHWMWEIAAARWJH-UHFFFAOYSA-M2-chloro-1,4-benzenedicarboxylic acid, 1-methyl ester
Database identifiers
- PubChem CID
- 21276533
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- -1
- Complexity
- 235
Related reactions
16 records
Compound notes
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