Basic information
- CAS
7505-18-2- Standard SMILES
COc1cc(OC)c(OC(=O)CCl)c(OC)c1- InChIKey
UHDNSHSJLKOQDV-UHFFFAOYSA-N- Molecular formula
- C11H13ClO5
- Average molar mass
- 260.67 g/mol
- Monoisotopic mass
- 260.0451512
Names & identifiers
- Preferred name
- (2,4,6-Trimethoxyphenyl) 2-chloroacetate
- IUPAC
- (2,4,6-trimethoxyphenyl) 2-chloroacetate
Names & synonyms
7505-18-2(2,4,6-trimethoxyphenyl) 2-chloroacetateNSC404880DTXSID703237932,4,6-Trimethoxyphenyl chloroacetateNSC-404880
Database identifiers
- CAS
7505-18-2- PubChem CID
- 346604
- DTXSID
DTXSID70323793
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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