O-Ethyl O-4-nitrophenyl phenylphosphonate
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Basic information
- CAS
2012-00-2- Standard SMILES
CCOP(=O)(Oc1ccc([N+](=O)[O-])cc1)c1ccccc1- InChIKey
PDABPGQGULTJFY-UHFFFAOYSA-N- Molecular formula
- C14H14NO5P
- Average molar mass
- 307.24 g/mol
- Monoisotopic mass
- 307.06095954
Overview
RN given refers to cpd with unspecified isomeric designation
Names & identifiers
- Preferred name
- O-Ethyl O-4-nitrophenyl phenylphosphonate
- IUPAC
- 1-[ethoxy(phenyl)phosphoryl]oxy-4-nitrobenzene
- English name
- EPN OXON
- Molecular formula
- C14H14NO5P
- Molecular weight
- 307.24
Names & synonyms
Epn oxon2012-00-2EPN-oxonO-Ethyl O-4-nitrophenyl phenylphosphonatePhosphonic acid, phenyl-, ethyl 4-nitrophenyl esterDTXSID50942148JF5VG2G4AARefChem:928045DTXCID3013705621-[ethoxy(phenyl)phosphoryl]oxy-4-nitrobenzeneEthyl (4-nitrophenyl) phenylphosphonateEthyl p-nitrophenyl phenylphosphonate
Show more names
EPN Oxon StandardEPN Oxon@100 μg/mL in Acetoneo-ethylo-4-nitrophenylphenylphosphonateEPN oxon, in acetone, 100 μg/mL in acetonephenyl-phosphonicaciethyl4-nitrophenylesterPHOSPHONICACID,PHENYL-,ETHYL4-NITROPHENYLESTER
CCRIS 7776BRN 2949526O-Ethyl O-p-nitrophenyl phenylphosphonateethyl 4-nitrophenyl phenylphosphonateEPNOPhosphonic acid, phenyl-, ethyl 4-nitrophenyl ester, (-)-4-16-00-01070 (Beilstein Handbook Reference)68887-74-1
Database identifiers
- CAS
2012-00-2、68887-74-1、68887-75-2- PubChem CID
- 107973
- DTXSID
DTXSID50942148- UNII
- JF5VG2G4AA
- Nikkaji
- J50.306A
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Melting point
- 33 ℃ · approximate 33℃
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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