Basic information
- CAS
7284-60-8- Standard SMILES
CC(C)OP(=O)(Oc1ccc([N+](=O)[O-])cc1)C(C)C- InChIKey
BABBDMKQVMCZDS-UHFFFAOYSA-N- Molecular formula
- C12H18NO5P
- Average molar mass
- 287.25 g/mol
- Monoisotopic mass
- 287.09225967
Names & identifiers
- Preferred name
- Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl ester
- IUPAC
- 1-nitro-4-[propan-2-yl(propan-2-yloxy)phosphoryl]oxybenzene
- English name
- Isopropylphosphonic acid isopropyl p-nitrophenyl ester
- Molecular formula
- C12H18NO5P
- Molecular weight
- 287.25
Names & synonyms
7284-60-8Phosphonic acid, isopropyl-, isopropyl p-nitrophenyl esterRefChem:1095181Isopropyl p-nitrophenyl isopropylphosphonateBRN 2153498DTXSID109936364-nitrophenyl propan-2-yl propan-2-ylphosphonateIsopropylphosphonic acid isopropyl p-nitrophenyl esterPhosphonic acid, P-(1-methylethyl)-, 1-methylethyl 4-nitrophenyl ester
Database identifiers
- CAS
7284-60-8- PubChem CID
- 81702
- DTXSID
DTXSID10993636- Nikkaji
- J50.293F
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 123 · 123-124 °C(Press: 0.02 Torr)
- Density
- 1.201 · 1.201±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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