Basic information
- Standard SMILES
COC(=O)c1ccc(C(N)=NO)c(F)c1- InChIKey
AHTIYVXUMLZKHQ-UHFFFAOYSA-N- Molecular formula
- C9H9FN2O3
- Average molar mass
- 212.18 g/mol
- Monoisotopic mass
- 212.05972032
Names & identifiers
- Preferred name
- Methyl 4-[amino(hydroxyimino)methyl]-3-fluorobenzoate
- IUPAC
- methyl 3-fluoro-4-(N'-hydroxycarbamimidoyl)benzoate
Names & synonyms
SCHEMBL2776991SCHEMBL4392531AHTIYVXUMLZKHQ-UHFFFAOYSA-Nmethyl 4-[amino(hydroxyimino)methyl]-3-fluorobenzoate
Database identifiers
- PubChem CID
- 72307476
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
5 records
Compound notes
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