Methyl 2-bromo-4,5-difluorobenzoate

C₈H₅BrF₂O₂CAS 878207-28-4251.03 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₅BrF₂O₂
Molar mass: 251.03 g/mol
Exact mass: 249.9441 Da
logP: 2.51Crippen estimate
Polar surface area: 26.3 Å²
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

878207-28-4

SMILES

COC(=O)C1=CC(=C(C=C1Br)F)F

InChIKey

ZCGAVEFBZYWYJW-UHFFFAOYSA-N

InChI

InChI=1S/C8H5BrF2O2/c1-13-8(12)4-2-6(10)7(11)3-5(4)9/h2-3H,1H3

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Work with Methyl 2-bromo-4,5-difluorobenzoate

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

Methyl 2-amino-4,5-difluorobenzoate207346-42-763 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-862 % similar Methyl 2,3,4,5-tetrafluorobenzoate5292-42-258 % similar 4-Bromo-2-fluoro-benzoic acid methyl ester179232-29-258 % similar Methyl 3-bromo-4-fluorobenzoate82702-31-658 % similar 1,4-Dimethyl 2-bromo-1,4-benzenedicarboxylate18643-86-257 % similar Methyl 2,5-dibromobenzoate57381-43-857 % similar Methyl 3-bromo-2-fluorobenzoate206551-41-955 % similar

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

Same formula

2-(4-Bromo-2,6-difluorophenyl)acetic acid537033-54-8 Methyl 4-bromo-2,6-difluorobenzoate773134-11-5 2-Bromo-4,5-difluorophenylacetic acid883502-07-6

Elsewhere

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