chempirical

3-Chloro-4-iodobenzotrifluoride

C7H3ClF3ICAS 141738-80-9306.45 g/mol

Open in Covalent MOL file
FFFClI
Alkyl halideAryl 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 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
141738-80-9
SMILES
C1=CC(=C(C=C1C(F)(F)F)Cl)I
InChIKey
ULJRBVGSKAKZKQ-UHFFFAOYSA-N
InChI
InChI=1S/C7H3ClF3I/c8-5-3-4(7(9,10)11)1-2-6(5)12/h1-3H

Weigh it out

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

Work with 3-Chloro-4-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

3,4-Dichlorobenzotrifluoride328-84-764 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-658 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-857 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-656 % similar 3-Chloro-4-hydroxybenzotrifluoride35852-58-556 % similar 2-Chloro-4-trifluoromethylaniline39885-50-256 % similar 1-Bromo-2-chloro-4-(trifluoromethyl)benzene402-04-056 % similar 2,4-Bis(trifluoromethyl)chlorobenzene327-76-455 % similar

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

Same formula

4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-1 2-Chloro-5-iodobenzotrifluoride260355-20-2 4-Chloro-3-iodobenzotrifluoride672-57-1

Elsewhere

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