2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-nitro-
Basic information
- CAS
3048-73-5- Standard SMILES
O=[N+]([O-])C12COP(OC1)OC2- InChIKey
UTQLCFUCRQSESN-UHFFFAOYSA-N- Molecular formula
- C4H6NO5P
- Average molar mass
- 179.07 g/mol
- Monoisotopic mass
- 178.99835929
Names & identifiers
- Preferred name
- 2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-nitro-
- IUPAC
- 4-nitro-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
- English name
- 4-Nitro-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane
- Molecular formula
- C4H6NO5P
- Molecular weight
- 179.07
Names & synonyms
4-Nitro-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane2,6,7-Trioxa-1-phosphabicyclo[2.2.2]octane, 4-nitro-3048-73-5DTXSID60336493UTQLCFUCRQSESN-UHFFFAOYSA-N1,3-Propanediol, 2-(hydroxymethyl)-2-nitro-, cyclic phosphite4-Nitro-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane #
Database identifiers
- CAS
3048-73-5- PubChem CID
- 534087
- DTXSID
DTXSID60336493- Nikkaji
- J102.691G
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 170
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Compound notes
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