2-Chloro-5-iodobenzotrifluoride

C₇H₃ClF₃ICAS 260355-20-2306.45 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₇H₃ClF₃I
Molar mass: 306.45 g/mol
Exact mass: 305.8920 Da
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

260355-20-2

SMILES

C1=CC(=C(C=C1I)C(F)(F)F)Cl

InChIKey

MCIFWVOVVPVBRJ-UHFFFAOYSA-N

InChI

InChI=1S/C7H3ClF3I/c8-6-2-1-4(12)3-5(6)7(9,10)11/h1-3H

Weigh it out

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

Work with 2-Chloro-5-iodobenzotrifluoride

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

1,4-Dichloro-2-(trifluoromethyl)benzene320-50-360 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-460 % similar 1-Chloro-4-fluoro-2-(trifluoromethyl)benzene89634-75-358 % similar 4-Chloro-3-(trifluoromethyl)aniline320-51-456 % similar 5-Bromo-2-chlorobenzotrifluoride445-01-256 % similar 4-Chloro-3-(trifluoromethyl)phenol6294-93-556 % similar 2-Chlorobenzotrifluoride88-16-455 % similar 1,2-Dichloro-4-iodobenzene20555-91-354 % similar

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

Same formula

3-Chloro-4-iodobenzotrifluoride141738-80-9 4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-1 4-Chloro-3-iodobenzotrifluoride672-57-1

Elsewhere

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