Basic information
- CAS
13294-94-5- Standard SMILES
O=C1OC(c2ccccc2)=CC1=Cc1ccc(Cl)cc1- InChIKey
OOBPYNGHMHREFX-UHFFFAOYSA-N- Molecular formula
- C17H11ClO2
- Average molar mass
- 282.7 g/mol
- Monoisotopic mass
- 282.0447573
Names & identifiers
- Preferred name
- 3-[(4-Chlorophenyl)methylidene]-5-phenylfuran-2-one
- IUPAC
- 3-[(4-chlorophenyl)methylidene]-5-phenylfuran-2-one
Names & synonyms
13294-94-5ChemDiv3_000949DS-0046833-[(4-chlorophenyl)methylidene]-5-phenylfuran-2(3H)-one
Database identifiers
- CAS
13294-94-5- PubChem CID
- 284643
- EC Number
- 168-854-8
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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