Basic information
- Standard SMILES
CC(=O)Oc1ccc(Cl)c(C)c1- InChIKey
LKKDOFSIQKPJLX-UHFFFAOYSA-N- Molecular formula
- C9H9ClO2
- Average molar mass
- 184.62 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-3-methylphenyl acetate
- IUPAC
- (4-chloro-3-methylphenyl) acetate
Names & synonyms
4-Chloro-3-methylphenyl acetate54963-43-8Acetic acid 4-chloro-3-methylphenyl esterPhenol, 4-chloro-3-methyl-, acetatePhenol, 4-chloro-3-methyl-, 1-acetate4-Chloro-3-methylphenylacetateSCHEMBL18468554-Chloro-3-methylphenyl acetate #(4-chloro-3-methyl-phenyl) acetateMFCD00457524AKOS002952584CS-0181583
Show more names
F624223
Database identifiers
- PubChem CID
- 521555
- Nikkaji
- J1.949.117J
Properties
Computed structural properties
- XLogP
- 2.7
- 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
2 records
Compound notes
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