Basic information
- CAS
432016-69-8- Standard SMILES
O=C1C(=Cc2ccc(OCc3ccccc3F)c(Br)c2)C(=O)c2ccccc21- InChIKey
VWXDWIOGKICPQT-UHFFFAOYSA-N- Molecular formula
- C23H14BrFO3
- Average molar mass
- 437.3 g/mol
- Monoisotopic mass
- 436.01104
Names & identifiers
- Preferred name
- 2-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]indene-1,3-dione
- English name
- 2-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dione
- Molecular formula
- C23H14BrFO3
- Molecular weight
- 437.26
Names & synonyms
2-{3-bromo-4-[(2-fluorobenzyl)oxy]benzylidene}-1H-indene-1,3(2H)-dioneAM-879/41297469STK1603652-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylidene]indene-1,3-dioneAKOS0003296342-({3-bromo-4-[(2-fluorophenyl)methoxy]phenyl}methylidene)-1H-indene-1,3(2H)-dione1H-Indene-1,3(2H)-dione, 2-[[3-bromo-4-[(2-fluorophenyl)methoxy]phenyl]methylene]-
Database identifiers
- CAS
432016-69-8- PubChem CID
- 1778219
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 607
Chemistry & industry
Suppliers2 total
SPECS[email protected]
VITAS-BB—
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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