Basic information
- CAS
59876-60-7- Standard SMILES
CC(Nc1ccc(F)cc1)=C1C(=O)c2ccccc2C1=O- InChIKey
OONBCIWASNVBDY-UHFFFAOYSA-N- Molecular formula
- C17H12FNO2
- Average molar mass
- 281.28 g/mol
Names & identifiers
- Preferred name
- CID 4591521
- IUPAC
- 2-[1-(4-fluoroanilino)ethylidene]indene-1,3-dione
- English name
- 2-(((4-Fluorophenyl)amino)ethylidene)indane-1,3-dione
- Molecular formula
- C17H12FNO2
- Molecular weight
- 281.28
Names & synonyms
2-(((4-Fluorophenyl)amino)ethylidene)indane-1,3-dione1H-Indene-1,3(2H)-dione, 2-[1-[(4-fluorophenyl)amino]ethylidene]-2-{1-[(4-fluorophenyl)amino]ethylidene}-2,3-dihydro-1H-indene-1,3-dione
Database identifiers
- CAS
59876-60-7
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 46.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Boiling point
- 422.9 · 422.9±45.0 °C(Predicted)
- Density
- 1.372 · 1.372±0.06 g/cm3(Predicted)
- pka
- -0.56 · -0.56±0.20(Predicted)
Chemistry & industry
Suppliers4 total
Key Organics Ltd.[email protected]
MENAI[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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