Basic information
- Standard SMILES
CC(=O)Oc1ccc(C)c(Cl)c1- InChIKey
GWZZIAIDECRFAH-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
Names & identifiers
- Preferred name
- Phenol, 3-chloro-4-methyl-, acetate
- IUPAC
- (3-chloro-4-methylphenyl) acetate
Names & synonyms
4-Acetoxy-2-chlorotoluene129930-85-4SCHEMBL63046593-Chloro-4-methylphenol 1-acetate3-Chloro-4-methylphenyl acetate #Phenol, 3-chloro-4-methyl-, acetateDB-165746
Database identifiers
- PubChem CID
- 538898
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Related reactions
8 records
Compound notes
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