Basic information
- Standard SMILES
Cc1ncc2c(c1OC(=O)OCCCO[N+](=O)[O-])COC2c1ccc(Cl)cc1- InChIKey
DYFHIHCEGGOBHZ-UHFFFAOYSA-N- Molecular formula
- C18H17ClN2O7
- Average molar mass
- 408.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl 3-(nitrooxy)propyl carbonate
- IUPAC
- [3-(4-chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl] 3-nitrooxypropyl carbonate
Names & synonyms
SCHEMBL636122DYFHIHCEGGOBHZ-UHFFFAOYSA-N3-(4-Chlorophenyl)-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl 3-(nitrooxy)propyl carbonate
Database identifiers
- PubChem CID
- 44633486
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
1 records
Compound notes
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