chempirical

2-Chloro-4,6-di-P-tolyl-1,3,5-triazine

C17H14ClN3CAS 21902-34-1295.77 g/mol

Open in Covalent MOL file
NNNCl
Aryl halide

Properties

Molecular formula
C17H14ClN3
Molar mass
295.77 g/mol
Exact mass
295.0876 Da
logP
4.48Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
21902-34-1
SMILES
CC1=CC=C(C=C1)C2=NC(=NC(=N2)Cl)C3=CC=C(C=C3)C
InChIKey
LPSLMIOUKRPZDC-UHFFFAOYSA-N
InChI
InChI=1S/C17H14ClN3/c1-11-3-7-13(8-4-11)15-19-16(21-17(18)20-15)14-9-5-12(2)6-10-14/h3-10H,1-2H3

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Work with 2-Chloro-4,6-di-P-tolyl-1,3,5-triazine

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-([1,1'-Biphenyl]-4-yl)-4-chloro-6-phenyl-1,3,5-triazine1472062-94-459 % similar 2,4-Bis([1,1'-biphenyl]-4-yl)-6-chloro-1,3,5-triazine182918-13-459 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-558 % similar 2-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-654 % similar 2,4-Dichloro-6-phenyl-1,3,5-triazine1700-02-352 % similar 2-Chloro-4-(naphthalen-2-yl)-6-phenyl-1,3,5-triazine1342819-12-848 % similar 2-Chloro-4-(biphenyl-3-yl)-6-phenyl-1,3,5-triazine1689576-03-148 % similar Di-p-tolyl613-33-248 % similar

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

Elsewhere

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