2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride

C₈H₃ClF₂O₃CAS 143096-86-0220.56 g/mol

Open in Covalent MOL file

Acetal Acyl halide Alkyl halide Ether

Properties

Molecular formula: C₈H₃ClF₂O₃
Molar mass: 220.56 g/mol
Exact mass: 219.9739 Da
logP: 2.39Crippen estimate
Polar surface area: 35.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Identifiers

CAS number

143096-86-0

SMILES

C1=CC(=C2C(=C1)OC(O2)(F)F)C(=O)Cl

InChIKey

URZQSPHXJREUFT-UHFFFAOYSA-N

InChI

InChI=1S/C8H3ClF2O3/c9-7(12)4-2-1-3-5-6(4)14-8(10,11)13-5/h1-3H

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Work with 2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride

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-Difluoro-1,3-benzodioxole-4-carboxylic acid126120-85-264 % similar 4-Bromo-2,2-difluoro-1,3-benzodioxole144584-66-750 % similar 2,2-Difluoro-1,3-benzodioxole-4-carboxaldehyde119895-68-049 % similar 4-Amino-2,2-difluoro-1,3-benzodioxole106876-54-449 % similar 2-Methoxybenzoyl chloride21615-34-945 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-745 % similar 2-Fluoro-3-(trifluoromethyl)benzoyl chloride208173-19-744 % similar 2,2-Difluoro-1,3-benzodioxole1583-59-144 % similar

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

Same formula

2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride127163-51-3

Elsewhere

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