Ethyl 2-methyl-4,5,6,7-tetrafluorobenzofuran-3-carboxylate

C12H8F4O3CAS 3265-71-2276.19 g/mol

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Aryl halideEster

Properties

Molecular formula
C12H8F4O3
Molar mass
276.19 g/mol
Exact mass
276.0410 Da
logP
3.47Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
3265-71-2
SMILES
CCOC(=O)C1=C(OC2=C1C(=C(C(=C2F)F)F)F)C
InChIKey
FLVYOTVMIFECHQ-UHFFFAOYSA-N
InChI
InChI=1S/C12H8F4O3/c1-3-18-12(17)5-4(2)19-11-6(5)7(13)8(14)9(15)10(11)16/h3H2,1-2H3

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Names and synonyms

1 names
  • Ethyl 4,5,6,7-tetrafluoro-2-methyl-1-benzofuran-3-carboxylate

Work with Ethyl 2-methyl-4,5,6,7-tetrafluorobenzofuran-3-carboxylate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 2,3,4,5,6-pentafluorobenzoate4522-93-458 % similar Ethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate3385-34-048 % similar Ethyl 2H-tetrafluorobenzoate122894-73-943 % similar Ethyl 5-methylisoxazole-4-carboxylate51135-73-040 % similar Diethyl 2,5-furandicarboxylate53662-83-240 % similar Ethyl 2,4,6-trimethylbenzoate1754-55-839 % similar Ethyl (pentafluorobenzoyl)acetate3516-87-838 % similar 2,4-Dimethyl-3,5-dicarbethoxypyrrole2436-79-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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