chempirical

Tram-34

C22H17ClN2CAS 289905-88-0344.84 g/mol

Open in Covalent MOL file
ClNN
Aryl halide

Properties

Molecular formula
C22H17ClN2
Molar mass
344.84 g/mol
Exact mass
344.1080 Da
logP
5.38Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
289905-88-0
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)N4C=CC=N4
InChIKey
KBFUQFVFYYBHBT-UHFFFAOYSA-N
InChI
InChI=1S/C22H17ClN2/c23-21-15-8-7-14-20(21)22(25-17-9-16-24-25,18-10-3-1-4-11-18)19-12-5-2-6-13-19/h1-17H

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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-Chlorotrityl chloride42074-68-045 % similar O-Chlorobenzotrichloride2136-89-238 % similar 2-Chlorobenzotrifluoride88-16-437 % similar Dechloroclotrimazole15469-97-337 % similar Fluotrimazole31251-03-335 % similar 2-Bromo-1-(triphenylmethyl)-1H-imidazole67478-47-134 % similar 1-Phenylpyrazole1126-00-733 % similar Flutrimazole119006-77-832 % similar

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

Same formula

Clotrimazole23593-75-1

Elsewhere

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