Basic information
- Standard SMILES
CCC1(CC)COP(=O)(Cc2ccc([N+](=O)[O-])cc2)OC1- InChIKey
SMXCCQSOLITVNB-UHFFFAOYSA-N- Molecular formula
- C14H20NO5P
- Average molar mass
- 313.29 g/mol
- Monoisotopic mass
- 313.10790974
Names & identifiers
- Preferred name
- 5,5-Diethyl-2-(4-nitrobenzyl)-1,3,2-dioxaphosphorinan-2-oxide
- IUPAC
- 5,5-diethyl-2-[(4-nitrophenyl)methyl]-1,3,2lambda5-dioxaphosphinane 2-oxide
Names & synonyms
SCHEMBL7753025SMXCCQSOLITVNB-UHFFFAOYSA-Ndiethyl-2-(4-nitrobenzyl)-1,3,2-dioxaphosphorinane-2-oxide5,5-diethyl-2-(4-nitrobenzyl)-1,3,2-dioxaphosphorinan-2-oxide5,5-diethyl-2-(4-nitrobenzyl)-1,3,2-dioxaphosphorinane-2-oxide
Database identifiers
- PubChem CID
- 18928100
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Related reactions
3 records
Compound notes
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