1-(2-Chloro-4-fluoro-5-methylcarbonylaminophenyl)ethyl nitrate
Basic information
- Standard SMILES
CC(=O)Nc1cc(C(C)O[N+](=O)[O-])c(Cl)cc1F- InChIKey
SHTSRGNCCVQHEK-UHFFFAOYSA-N- Molecular formula
- C10H10ClFN2O4
- Average molar mass
- 276.65 g/mol
Names & identifiers
- Preferred name
- 1-(2-Chloro-4-fluoro-5-methylcarbonylaminophenyl)ethyl nitrate
- IUPAC
- 1-(5-acetamido-2-chloro-4-fluorophenyl)ethyl nitrate
Names & synonyms
SCHEMBL10556052SHTSRGNCCVQHEK-UHFFFAOYSA-N1-(2-chloro-4-fluoro-5-methylcarbonylaminophenyl)ethyl nitrate
Database identifiers
- PubChem CID
- 14501807
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
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Related reactions
6 records
Compound notes
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