Basic information
- CAS
15875-54-4- Standard SMILES
O=C1C(=Cc2ccc(Cl)cc2)C(=O)c2ccccc21- InChIKey
DPSNBOGJIUODEX-UHFFFAOYSA-N- Molecular formula
- C16H9ClO2
- Average molar mass
- 268.69 g/mol
- Monoisotopic mass
- 268.0291072
Names & identifiers
- Preferred name
- 2-[(4-chlorophenyl)methylene]-1H-indene-1,3(2H)-dione
- IUPAC
- 2-[(4-chlorophenyl)methylidene]indene-1,3-dione
- English name
- 2-((4-Chlorophenyl)methylene)indane-1,3-dione
- Molecular formula
- C16H9ClO2
- Molecular weight
- 268.69
Names & synonyms
15875-54-42-[(4-chlorophenyl)methylene]-1H-indene-1,3(2H)-dione2-[(4-chlorophenyl)methylidene]-2,3-dihydro-1H-indene-1,3-dioneNSC6366212-[(4-chlorophenyl)methylidene]indene-1,3-dioneMFCD000212341H-indene-1,3(2H)-dione, 2-[(4-chlorophenyl)methylene]-2-((4-Chlorophenyl)methylene)indane-1,3-dione2-[(4-chlorophenyl)methylene]indane-1,3-dione2-(4-Chlorobenzylidene)-1H-indene-1,3(2H)-dione2-[(4-chlorophenyl)methylene]cyclopenta[1,2-a]benzene-1,3-dione2-(4-chlorobenzylidene)indan-1,3-dione
Show more names
ASISCHEM Z66941AKOS BBS-00005704
CBMicro_005438C16H9ClO2SCHEMBL3372898SCHEMBL30381697DTXSID30327171SMSF0003476SBB041958STK386211
Database identifiers
- CAS
15875-54-4- PubChem CID
- 367153
- DTXSID
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Physicochemical properties
- Melting point
- 173 · 173-174 °C(Solv: ethanol (64-17-5); water (7732-18-5))
- Boiling point
- 465.4 · 465.4±45.0 °C(Predicted)
- Density
- 1.404 · 1.404±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers9 total
Ryan Scientific, Inc.[email protected]
MENAI[email protected]
BIONET-INTER[email protected]
MATRIX[email protected]
ASISCHEM[email protected]
宝欧信特生物科技（苏州）有限公司51288865780 · [email protected]
Carbosynth[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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