Basic information
- CAS
500728-38-1- Standard SMILES
CC(=O)Oc1c(N)c(C)cc(C)c1F- InChIKey
CWNRZGXXJCYSMU-UHFFFAOYSA-N- Molecular formula
- C10H12FNO2
- Average molar mass
- 197.21 g/mol
- Monoisotopic mass
- 197.08520679
Names & identifiers
- Preferred name
- Phenol,5-dimethyl-, acetate (ester)
- IUPAC
- (2-amino-6-fluoro-3,5-dimethylphenyl) acetate
Names & synonyms
NSC159235Phenol,5-dimethyl-, acetate (ester)DTXSID701233334NSC-159235500728-38-12-Amino-6-fluoro-3,5-dimethylphenyl acetatePhenol, 2-amino-6-fluoro-3,5-dimethyl-, 1-acetate
Database identifiers
- CAS
500728-38-1- PubChem CID
- 292964
- DTXSID
DTXSID701233334
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 222
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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