Methyl 5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
Basic information
- CAS
308296-18-6- Standard SMILES
COC(=O)c1c(C)oc2ccc(OCc3cccc(F)c3)cc12- InChIKey
NXVNNCCYTPCGSN-UHFFFAOYSA-N- Molecular formula
- C18H15FO4
- Average molar mass
- 314.3 g/mol
- Monoisotopic mass
- 314.09543712
Names & identifiers
- Preferred name
- Methyl 5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
- IUPAC
- methyl 5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylate
- English name
- methyl 5-((3-fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylate
- Molecular formula
- C18H15FO4
- Molecular weight
- 314.31
Names & synonyms
308296-18-6methyl 5-[(3-fluorophenyl)methoxy]-2-methyl-1-benzofuran-3-carboxylatemethyl 5-((3-fluorobenzyl)oxy)-2-methylbenzofuran-3-carboxylatemethyl 5-[(3-fluorobenzyl)oxy]-2-methyl-1-benzofuran-3-carboxylateCBMicro_003383Oprea1_042896SMSF0018963STL327470AKOS001616334CB05105CCG-312045BIM-0003412.P001
Show more names
METHYL 5-((3-FLUOROBENZYL)OXY)-2-METHYL-1-BENZOFURAN-3-CARBOXYLATE3-Benzofurancarboxylic acid, 5-[(3-fluorophenyl)methoxy]-2-methyl-, methyl ester
ST50038612SR-01000456963SR-01000456963-1F3110-2524methyl 5-[(3-fluorophenyl)methoxy]-2-methylbenzo[b]furan-3-carboxylate
Database identifiers
- CAS
308296-18-6- PubChem CID
- 703285
- EC Number
- 122-382-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 48.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Physicochemical properties
- Boiling point
- 423.4 · 423.4±40.0 °C(Predicted)
- Density
- 1.26 · 1.260±0.06 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%)
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Related reactions
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Compound notes
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