2,6-Dichloro-4-(trifluoromethyl)benzonitrile

C₈H₂Cl₂F₃NCAS 157021-61-9240.01 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Nitrile

Properties

Molecular formula: C₈H₂Cl₂F₃N
Molar mass: 240.01 g/mol
Exact mass: 238.9516 Da
logP: 3.88Crippen estimate
Polar surface area: 23.8 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

157021-61-9

SMILES

C1=C(C=C(C(=C1Cl)C#N)Cl)C(F)(F)F

InChIKey

NCXSSFQXQAOREM-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2F3N/c9-6-1-4(8(11,12)13)2-7(10)5(6)3-14/h1-2H

Weigh it out

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

Work with 2,6-Dichloro-4-(trifluoromethyl)benzonitrile

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

2-Chloro-4-(trifluoromethyl)benzonitrile1813-33-861 % similar 2-Chloro-5-(trifluoromethyl)benzonitrile328-87-056 % similar 3,4,5-Trichlorobenzotrifluoride50594-82-655 % similar 2,6-Dichlorobenzonitrile1194-65-654 % similar 3,5-Bis(trifluoromethyl)benzonitrile27126-93-853 % similar 3,5-Dichloro-4-fluorobenzotrifluoride77227-81-753 % similar 4-Bromo-3,5-dichlorobenzotrifluoride118754-53-352 % similar 1,3-Dichloro-2-iodo-5-(trifluoromethyl)benzene175205-56-852 % similar

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

Elsewhere

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