Basic information
- Standard SMILES
COC(=O)c1cc(C(N)=NO)ccc1F- InChIKey
NKSLZLSOQWUMTL-UHFFFAOYSA-N- Molecular formula
- C9H9FN2O3
- Average molar mass
- 212.18 g/mol
- Monoisotopic mass
- 212.05972032
Names & identifiers
- Preferred name
- Methyl 5-[amino(hydroxyimino)methyl]-2-fluorobenzoate
- IUPAC
- methyl 2-fluoro-5-(N'-hydroxycarbamimidoyl)benzoate
Names & synonyms
SCHEMBL2777533SCHEMBL2804263NKSLZLSOQWUMTL-UHFFFAOYSA-Nmethyl 5-[amino(hydroxyimino)methyl]-2-fluorobenzoate
Database identifiers
- PubChem CID
- 72307478
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 84.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 270
Related reactions
3 records
Compound notes
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