Basic information
- Standard SMILES
COc1ccc(C(C)=O)c(N)c1F- InChIKey
XGTXVYMITPKDGB-UHFFFAOYSA-N- Molecular formula
- C9H10FNO2
- Average molar mass
- 183.18 g/mol
- Monoisotopic mass
- 183.06955672
Names & identifiers
- Preferred name
- 1-(2-Amino-3-fluoro-4-methoxyphenyl)ethanone
- IUPAC
- 1-(2-amino-3-fluoro-4-methoxyphenyl)ethanone
Names & synonyms
1-(2-amino-3-fluoro-4-methoxyphenyl)ethanone1073119-05-71-(2-amino-3-fluoro-4-methoxyphenyl)ethan-1-oneSCHEMBL312618XGTXVYMITPKDGB-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 44203147
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 198
Related reactions
7 records
Compound notes
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