4'-Chloro-4-fluorochalcone
Basic information
- CAS
98991-31-2- Standard SMILES
O=C(C=Cc1ccc(F)cc1)c1ccc(Cl)cc1- InChIKey
PLCRXLPQUCVAPP-UHFFFAOYSA-N- Molecular formula
- C15H10ClFO
- Average molar mass
- 260.69 g/mol
- Monoisotopic mass
- 260.0404208
Names & identifiers
- Preferred name
- 4'-Chloro-4-fluorochalcone
- IUPAC
- 1-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one
Names & synonyms
98991-31-2RefChem:5060604'-Chloro-4-fluorochalcone653-808-61-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-one(2E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)prop-2-en-1-oneMFCD00018703SCHEMBL2646487AKOS030655102
Database identifiers
- CAS
98991-31-2- PubChem CID
- 292907
- EC Number
- 653-808-6
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 300
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
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
P273, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAquatic Chronic 2 (100%)
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Related reactions
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Compound notes
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