Basic information
- CAS
1957-71-7- Standard SMILES
CC(Cc1cccc(F)c1)=NO- InChIKey
VELPMWVFMILSNL-UHFFFAOYSA-N- Molecular formula
- C9H10FNO
- Average molar mass
- 167.18 g/mol
- Monoisotopic mass
- 167.07464211
Names & identifiers
- Preferred name
- N-[1-(3-fluorophenyl)propan-2-ylidene]hydroxylamine
- IUPAC
- N-[1-(3-fluorophenyl)propan-2-ylidene]hydroxylamine
- English name
- (3-FLUOROPHENYL)ACETONE OXIME
- Molecular formula
- C9H10FNO
- Molecular weight
- 167.18
Names & synonyms
(3-FLUOROPHENYL)ACETONE OXIME2-PROPANONE, 1-(3-FLUOROPHENYL)-, OXIME(NE)-N-[1-(3-fluorophenyl)propan-2-ylidene]hydroxylamine
Database identifiers
- CAS
1957-71-7- PubChem CID
- 74315860
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 170
Physicochemical properties
- Boiling point
- 283.3 · 283.3±23.0 °C(Predicted)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 12.06 · 12.06±0.10(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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