3-(4-Nitrophenoxy)butan-2-one
Basic information
- CAS
31707-98-9- Standard SMILES
CC(=O)C(C)Oc1ccc([N+](=O)[O-])cc1- InChIKey
QGSVIIVTOWWDFI-UHFFFAOYSA-N- Molecular formula
- C10H11NO4
- Average molar mass
- 209.2 g/mol
Names & identifiers
- Preferred name
- 3-(4-Nitrophenoxy)butan-2-one
- IUPAC
- 3-(4-nitrophenoxy)butan-2-one
- English name
- 3-(4-Nitrophenoxy)-2-butanone
- Molecular formula
- C10H11NO4
- Molecular weight
- 209.2
Names & synonyms
3-(4-nitrophenoxy)butan-2-one31707-98-93-(4-nitrophenoxy)-2-butanoneSCHEMBL12483563QGSVIIVTOWWDFI-UHFFFAOYSA-N3-(4-nitrophenoxy)-butan-2-oneMFCD00243592AKOS00508029412K-0432-Butanone, 3-(4-nitrophenoxy)-
Database identifiers
- CAS
31707-98-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 240
Physicochemical properties
- Boiling point
- 345.1 · 345.1±17.0 °C(Predicted)
- Density
- 1.214 · 1.214±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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