4-Chloro-3-iodobenzotrifluoride

C₇H₃ClF₃ICAS 672-57-1306.45 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
Boiling point: 74–75 °C (at 5 Torr)
logP: 3.96Crippen estimate
Polar surface area: 0.0 Å²
H-bond donors / acceptors: 0 / 0
Rotatable bonds: 0

Identifiers

CAS number

672-57-1

SMILES

FC(F)(F)c1ccc(Cl)c(I)c1

InChIKey

SSLWFPKNYZEOTH-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

6 names

Benzene, 1-chloro-2-iodo-4-(trifluoromethyl)-
Toluene, 4-chloro-α,α,α-trifluoro-3-iodo-
1-Chloro-2-iodo-4-(trifluoromethyl)benzene
1-Chloro-2-iodo-4-trifluoromethylbenzene
2-Chloro-1-iodo-5-trifluoromethylbenzene
NSC 89703

Work with 4-Chloro-3-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 2-Chloro-5-(trifluoromethyl)aniline121-50-656 % similar 3-Bromo-4-chlorobenzotrifluoride454-78-456 % similar 3-Chloro-4-fluorobenzotrifluoride78068-85-653 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-852 % similar 1-Chloro-4-fluoro-2-iodobenzene202982-68-152 % similar 2-Iodo-5-(trifluoromethyl)aniline105202-02-652 % similar 2-Chloro-4-trifluoromethylaniline39885-50-252 % similar

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

Same formula

4-Chloro-1-iodo-2-(trifluoromethyl)benzene23399-77-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook