7-[(2-chloro-6-fluorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
Basic information
- CAS
314743-62-9- Standard SMILES
O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2c2c1CCC2- InChIKey
LQYBXVQIAAEUFZ-UHFFFAOYSA-N- Molecular formula
- C19H14ClFO3
- Average molar mass
- 344.8 g/mol
- Monoisotopic mass
- 344.0615502
Names & identifiers
- Preferred name
- 7-[(2-chloro-6-fluorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one
- IUPAC
- 7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
- English name
- 7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-one
- Molecular formula
- C19H14ClFO3
- Molecular weight
- 344.76
Names & synonyms
7-[(2-chloro-6-fluorobenzyl)oxy]-2,3-dihydrocyclopenta[c]chromen-4(1H)-one314743-62-97-((2-chloro-6-fluorobenzyl)oxy)-2,3-dihydrocyclopenta[c]chromen-4(1H)-oneOprea1_766102EiM07-13730STK829330AKOS001054031ST50188062Z258587237-[(2-chloro-6-fluorophenyl)methoxy]-1,2,3-trihydrocyclopenta[1,2-c]chromen-4- one7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one7-(2-CHLORO-6-FLUORO-BENZYLOXY)-2,3-DIHYDRO-1H-CYCLOPENTA(C)CHROMEN-4-ONE
Show more names
7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydro-1H-cyclopenta[c]chromen-4-oneCyclopenta[c][1]benzopyran-4(1H)-one, 7-[(2-chloro-6-fluorophenyl)methoxy]-2,3-dihydro-
Database identifiers
- CAS
314743-62-9- PubChem CID
- 2789350
- EC Number
- 165-996-2
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 535
Physicochemical properties
- Boiling point
- 516.6 · 516.6±50.0 °C(Predicted)
- Density
- 1.41 · 1.41±0.1 g/cm3(Predicted)
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
H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, 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 CategoriesAquatic Chronic 4 (100%)
Suppliers
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Related reactions
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Compound notes
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