Basic information
- Standard SMILES
Cn1ccc(COc2ccc([N+](=O)[O-])c(F)c2)n1- InChIKey
DBEWGUWVHNVWNV-UHFFFAOYSA-N- Molecular formula
- C11H10FN3O3
- Average molar mass
- 251.21 g/mol
- Monoisotopic mass
- 251.07061935
Names & identifiers
- Preferred name
- 3-((3-Fluoro-4-nitrophenoxy)methyl)-1-methyl-1H-pyrazole
- IUPAC
- 3-[(3-fluoro-4-nitrophenoxy)methyl]-1-methylpyrazole
Names & synonyms
SCHEMBL16038034DBEWGUWVHNVWNV-UHFFFAOYSA-NAKOS0212009773-((3-Fluoro-4-nitrophenoxy)methyl)-1-methyl-1H-pyrazole
Database identifiers
- PubChem CID
- 82881970
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 72.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
Related reactions
10 records
Compound notes
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