chempirical

Methyl 2,3,4,5-tetrafluorobenzoate

C8H4F4O2CAS 5292-42-2208.11 g/mol

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Aryl halideEster

Properties

Molecular formula
C8H4F4O2
Molar mass
208.11 g/mol
Exact mass
208.0147 Da
logP
2.03Crippen estimate
Polar surface area
26.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

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

Identifiers

CAS number
5292-42-2
SMILES
COC(=O)C1=CC(=C(C(=C1F)F)F)F
InChIKey
MAEQYZYOSFAUAF-UHFFFAOYSA-N
InChI
InChI=1S/C8H4F4O2/c1-14-8(13)3-2-4(9)6(11)7(12)5(3)10/h2H,1H3

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Names and synonyms

1 names
  • 2,3,4,5-Tetrafluoro-benzoic acid methyl ester

Work with Methyl 2,3,4,5-tetrafluorobenzoate

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

2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-871 % similar Ethyl 2,3,4,5-tetrafluorobenzoate122894-73-964 % similar Methyl 2-amino-4,5-difluorobenzoate207346-42-760 % similar 2',3',4',5'-Tetrafluoroacetophenone66286-21-356 % similar Methyl 2-fluoro-4-hydroxybenzoate197507-22-555 % similar Methyl 2-fluorobenzoate394-35-454 % similar Methyl 2,4-difluorobenzoate106614-28-254 % similar Dimethyl 2-fluoroterephthalate5292-47-754 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

2-Fluoro-3-(trifluoromethyl)benzoic acid115029-22-6 2-Fluoro-5-(trifluoromethyl)benzoic acid115029-23-7 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-8 3-Fluoro-4-(trifluoromethyl)benzoic acid115754-21-7 4-Fluoro-2-(trifluoromethyl)benzoic acid141179-72-8 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-5 2-Fluoro-6-(trifluoromethyl)benzoic acid32890-94-1 3-Fluoro-4-(trifluoromethoxy)benzaldehyde473917-15-6

Elsewhere

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