2,2-Difluoro-1,3-benzodioxole-5-carbonyl chloride

C₈H₃ClF₂O₃CAS 127163-51-3220.56 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

127163-51-3

SMILES

C1=CC2=C(C=C1C(=O)Cl)OC(O2)(F)F

InChIKey

TWAYOQDEKAESKD-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 2,2-Difluoro-1,3-benzodioxole-5-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-5-carboxylic acid656-46-261 % similar 2,2-Difluorobenzodioxole-5-carboxylic acid methyl ester773873-95-358 % similar 3,4-Dimethoxybenzoyl chloride3535-37-356 % similar 4-Trifluoromethoxybenzoyl chloride36823-88-851 % similar 2,2,5-Trifluoro-1,3-benzodioxole656-43-949 % similar 3-Fluoro-4-(trifluoromethyl)benzoyl chloride216144-68-248 % similar 4-(Trifluoromethyl)benzoyl chloride329-15-747 % similar 3,4-Difluorobenzoyl chloride76903-88-347 % similar

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

Same formula

2,2-Difluoro-1,3-benzodioxole-4-carbonyl chloride143096-86-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook