1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene

C₇H₂Cl₂F₃ICAS 175205-56-8340.89 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₂Cl₂F₃I
Molar mass: 340.89 g/mol
Exact mass: 339.8530 Da
logP: 4.62Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

175205-56-8

SMILES

FC(F)(F)c1cc(Cl)c(I)c(Cl)c1

InChIKey

RLCCFAVBZGICHD-UHFFFAOYSA-N

InChI

InChI=1S/C7H2Cl2F3I/c8-4-1-3(7(10,11)12)2-5(9)6(4)13/h1-2H

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Names and synonyms

1 names

Benzene, 1,3-dichloro-2-iodo-5-(trifluoromethyl)-

Work with 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene

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

3,4,5-Trichlorobenzotrifluoride50594-82-662 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-759 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-357 % similar 2,6-Dichloro-4-trifluoromethylaniline24279-39-857 % similar [2,6-Dichloro-4-(trifluoromethyl)phenyl]hydrazine86398-94-955 % similar 3,4-Dichlorobenzotrifluoride328-84-754 % similar 4-Chloro-3-iodobenzotrifluoride672-57-152 % similar 3-Chloro-4,5-difluorobenzotrifluoride77227-99-752 % similar

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

Elsewhere

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