Tert-butyl {3-fluoro-4-[(5-nitropyridin-2-yl)oxy]phenyl}carbamate
Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1ccc(Oc2ccc([N+](=O)[O-])cn2)c(F)c1- InChIKey
LQHWPKDCUAYLGS-UHFFFAOYSA-N- Molecular formula
- C16H16FN3O5
- Average molar mass
- 349.31 g/mol
- Monoisotopic mass
- 349.10739878
Names & identifiers
- Preferred name
- Tert-butyl {3-fluoro-4-[(5-nitropyridin-2-yl)oxy]phenyl}carbamate
- IUPAC
- tert-butyl N-[3-fluoro-4-[(5-nitro-2-pyridinyl)oxy]phenyl]carbamate
Names & synonyms
SCHEMBL12892603LQHWPKDCUAYLGS-UHFFFAOYSA-Ntert-butyl {3-fluoro-4-[(5-nitropyridin-2-yl)oxy]phenyl}carbamate
Database identifiers
- PubChem CID
- 58158596
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 479
Related reactions
4 records
Compound notes
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