Basic information
- CAS
36560-13-1- Standard SMILES
COc1ccc(OC(=O)CCl)cc1- InChIKey
CWZUOZZTNYZVSQ-UHFFFAOYSA-N- Molecular formula
- C9H9ClO3
- Average molar mass
- 200.62 g/mol
- Monoisotopic mass
- 200.02402183
Names & identifiers
- Preferred name
- 4-Methoxyphenyl chloroacetate
- IUPAC
- (4-methoxyphenyl) 2-chloroacetate
Names & synonyms
4-methoxyphenyl chloroacetate36560-13-14-METHOXYPHENYL 2-CHLOROACETATEChloroacetic acid, 4-methoxyphenyl ester(4-methoxyphenyl) 2-chloroacetateAcetic acid, 2-chloro-, 4-methoxyphenyl esterp-methoxyphenyl chloroacetate4-Methoxyphenyl2-chloroacetateSCHEMBL4645765DTXSID501035712F84412F982735
Database identifiers
- CAS
36560-13-1- PubChem CID
- 532460
- DTXSID
DTXSID501035712
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
4 records
Compound notes
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