6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline

C₁₁H₆BrClF₃NCAS 123637-51-4324.53 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide

Properties

Molecular formula: C₁₁H₆BrClF₃N
Molar mass: 324.53 g/mol
Exact mass: 322.9324 Da
logP: 4.80Crippen estimate
Polar surface area: 12.9 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Identifiers

CAS number

123637-51-4

SMILES

C1=CC2=C(C=C1CBr)C(=CC(=N2)C(F)(F)F)Cl

InChIKey

SJBKLFYWXYFAGT-UHFFFAOYSA-N

InChI

InChI=1S/C11H6BrClF3N/c12-5-6-1-2-9-7(3-6)8(13)4-10(17-9)11(14,15)16/h1-4H,5H2

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Names and synonyms

1 names

6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)quinoline

Work with 6-(Bromomethyl)-4-chloro-2-(trifluoromethyl)-quinoline

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

4-Chloro-6-fluoro-2-(trifluoromethyl)quinoline59611-55-162 % similar 4-Chloro-6-methyl-2-(trifluoromethyl)quinoline1701-26-460 % similar 4-Chloro-2,8-bis(trifluoromethyl)quinoline83012-13-946 % similar 4,5,7-Trichloro-2-(trifluoromethyl)quinoline175203-41-545 % similar 4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene261763-18-243 % similar 3,4-Dichlorobenzyl bromide18880-04-143 % similar 4-(Bromomethyl)-1-chloro-2-fluorobenzene206362-80-342 % similar 3-(Trifluoromethyl)benzyl bromide402-23-342 % similar

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

Elsewhere

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