2,6-Dichelorotrifluoromethoxybenzene

C₇H₃Cl₂F₃OCAS 97608-49-6231.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ether

Properties

Molecular formula: C₇H₃Cl₂F₃O
Molar mass: 231.00 g/mol
Exact mass: 229.9513 Da
logP: 3.89Crippen estimate
Polar surface area: 9.2 Å²
H-bond donors / acceptors: 0 / 1
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

97608-49-6

SMILES

C1=CC(=C(C(=C1)Cl)OC(F)(F)F)Cl

InChIKey

RIVHTVHBEUJLSP-UHFFFAOYSA-N

InChI

InChI=1S/C7H3Cl2F3O/c8-4-2-1-3-5(9)6(4)13-7(10,11)12/h1-3H

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Names and synonyms

1 names

1,3-Dichloro-2-(trifluoromethoxy)benzene

Work with 2,6-Dichelorotrifluoromethoxybenzene

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-(Trifluoromethoxy)chlorobenzene450-96-463 % similar 1-Chloro-3-(trifluoromethoxy)benzene772-49-652 % similar 3-Chloro-4-(trifluoromethoxy)aniline64628-73-548 % similar 2-Chloro-4-(trifluoromethoxy)aniline69695-61-048 % similar 2,6-Dichloro-4-(trifluoromethoxy)benzenamine99479-66-048 % similar 3-(Trifluoromethoxy)fluorobenzene1077-01-647 % similar 3-(Trifluoromethoxy)benzenethiol220239-66-745 % similar 1-Chloro-4-(trifluoromethoxy)benzene461-81-445 % similar

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

Same formula

1,3-Dichloro-4-(trifluoromethoxy)benzene451-85-4

Elsewhere

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