Basic information
- CAS
20133-68-0- Standard SMILES
CCC1([N+](=O)[O-])COP(=O)(O)OC1.Nc1ccc(F)cc1- InChIKey
CCLWSXZXVWYJHI-UHFFFAOYSA-N- Molecular formula
- C11H16FN2O6P
- Average molar mass
- 322.23 g/mol
- Monoisotopic mass
- 322.07300139
Names & identifiers
- Preferred name
- 5-Ethyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide-4-fluoroaniline(1:1)
- IUPAC
- 5-ethyl-2-hydroxy-5-nitro-1,3,2λ5-dioxaphosphinane 2-oxide;4-fluoroaniline
Names & synonyms
20133-68-05-ethyl-5-nitro-1,3,2-dioxaphosphinan-2-ol 2-oxide- 4-fluoroaniline(1:1)NSC108634DTXSID20296286NSC-1086345-Ethyl-2-hydroxy-5-nitro-1,3,2lambda~5~-dioxaphosphinan-2-one--4-fluoroaniline (1/1)
Database identifiers
- CAS
20133-68-0- PubChem CID
- 268451
- DTXSID
DTXSID20296286
Properties
Computed structural properties
- Topological polar surface area
- 128 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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