5-Chloro-2,2-difluoro-1,3-benzodioxole

C₇H₃ClF₂O₂CAS 72769-08-5192.55 g/mol

Open in Covalent MOL file

Acetal Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃ClF₂O₂
Molar mass: 192.55 g/mol
Exact mass: 191.9790 Da
logP: 2.66Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

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

72769-08-5

SMILES

C1=CC2=C(C=C1Cl)OC(O2)(F)F

InChIKey

CVICEEPAFUYBJG-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF2O2/c8-4-1-2-5-6(3-4)12-7(9,10)11-5/h1-3H

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 5-Chloro-2,2-difluoro-1,3-benzodioxole

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

2,2,5-Trifluoro-1,3-benzodioxole656-43-957 % similar 5-Amino-2,2-difluoro-1,3-benzodioxole1544-85-055 % similar 5-Bromo-2,2-difluorobenzodioxole33070-32-555 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-152 % similar 1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-452 % similar 2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-351 % similar 2,2-Difluoro-5-formylbenzodioxole656-42-850 % similar 4-Chloro-2-(trifluoromethoxy)aniline175205-77-349 % similar

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

Same formula

2-Chloro-4,5-difluorobenzoic acid110877-64-0 5-Chloro-2,4-difluorobenzoic acid130025-33-1 4-Chloro-2,5-difluorobenzoic acid132794-07-1 4-Chloro-2,3-difluorobenzoic acid150444-94-3 3-Chloro-4,5-difluorobenzoic acid150444-95-4 3-Chloro-2,4-difluorobenzoic acid154257-75-7 3-Chloro-2,6-difluorobenzoic acid225104-76-7 2-Chloro-3,6-difluorobenzoic acid287172-74-1

Elsewhere

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