Basic information
- Standard SMILES
COc1c(NC(C)=O)c(F)cc(Cl)c1[N+](=O)[O-]- InChIKey
KCLMPYMFUOUTTI-UHFFFAOYSA-N- Molecular formula
- C9H8ClFN2O4
- Average molar mass
- 262.62 g/mol
- Monoisotopic mass
- 262.0156626
Names & identifiers
- Preferred name
- N-(4-chloro-6-fluoro-2-methoxy-3-nitrophenyl)acetamide
- IUPAC
- N-(4-chloro-6-fluoro-2-methoxy-3-nitrophenyl)acetamide
Names & synonyms
SCHEMBL7252406KCLMPYMFUOUTTI-UHFFFAOYSA-NN-(4-chloro-6-fluoro-2-methoxy-3-nitrophenyl)acetamide
Database identifiers
- PubChem CID
- 18176014
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 312
Related reactions
3 records
Compound notes
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