Basic information
- Standard SMILES
O=[N+]([O-])c1c(Cl)nc(Cl)nc1N1CC2CCC(C1)O2- InChIKey
OZTZDAVTCVFNBI-UHFFFAOYSA-N- Molecular formula
- C10H10Cl2N4O3
- Average molar mass
- 305.11 g/mol
Names & identifiers
- Preferred name
- 3-(2,6-Dichloro-5-nitropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
- IUPAC
- 3-(2,6-dichloro-5-nitropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
Names & synonyms
SCHEMBL628394OZTZDAVTCVFNBI-UHFFFAOYSA-N3-(2,6-Dichloro-5-nitropyrimidin-4-yl)-8-oxa-3-azabicyclo[3.2.1]octane
Database identifiers
- PubChem CID
- 86665896
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 84.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 357
Related reactions
2 records
Compound notes
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