Phosphoric acid, 3-chloro-4-nitrophenyl diethyl ester
Basic information
- CAS
20362-98-5- Standard SMILES
CCOP(=O)(OCC)Oc1ccc([N+](=O)[O-])c(Cl)c1- InChIKey
KYXXDAVAUNRJME-UHFFFAOYSA-N- Molecular formula
- C10H13ClNO6P
- Average molar mass
- 309.64 g/mol
- Monoisotopic mass
- 309.0169018
Names & identifiers
- Preferred name
- Phosphoric acid, 3-chloro-4-nitrophenyl diethyl ester
- IUPAC
- (3-chloro-4-nitrophenyl) diethyl phosphate
Names & synonyms
Chloroxon ethylEthyl chloroxon3-Chloro-4-nitrophenyl diethyl phosphate20362-98-5Phosphoric acid, 3-chloro-4-nitrophenyl diethyl esterDTXSID90174289RefChem:370908DTXCID4096780
Database identifiers
- CAS
20362-98-5- PubChem CID
- 209779
- DTXSID
DTXSID90174289
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 339
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Compound notes
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