Basic information
- Standard SMILES
CCCCCCOP(=O)(Cl)Oc1ccc([N+](=O)[O-])cc1- InChIKey
BBHCWMMVRKEITC-UHFFFAOYSA-N- Molecular formula
- C12H17ClNO5P
- Average molar mass
- 321.69 g/mol
Names & identifiers
- Preferred name
- n-Hexyl p-nitrophenyl phosphorochloridate
- IUPAC
- 1-[chloro(hexoxy)phosphoryl]oxy-4-nitrobenzene
Names & synonyms
SCHEMBL6262193BBHCWMMVRKEITC-UHFFFAOYSA-Nn-hexyl p-nitrophenyl phosphorochloridate
Database identifiers
- PubChem CID
- 22501465
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 341
Related reactions
5 records
Compound notes
Loading…