chempirical

Clofentezine

C14H8Cl2N4CAS 74115-24-5303.15 g/mol

Open in Covalent MOL file
ClNNClNN
Aryl halide

Properties

Molecular formula
C14H8Cl2N4
Molar mass
303.15 g/mol
Exact mass
302.0126 Da
Melting point
182 °C
logP
3.91Crippen estimate
Polar surface area
51.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
74115-24-5
SMILES
Clc1ccccc1-c1nnc(-c2ccccc2Cl)nn1
InChIKey
UXADOQPNKNTIHB-UHFFFAOYSA-N
InChI
InChI=1S/C14H8Cl2N4/c15-11-7-3-1-5-9(11)13-17-19-14(20-18-13)10-6-2-4-8-12(10)16/h1-8H

Weigh it out

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Names and synonyms

12 names
  • 1,2,4,5-Tetrazine, 3,6-bis(2-chlorophenyl)-
  • 3,6-Bis(2-chlorophenyl)-1,2,4,5-tetrazine
  • NC 21314
  • Apollo
  • Apollo 50W
  • Bisclofentezin
  • Apollo (pesticide)
  • Bisclofentezine
  • Acaristop
  • Apollo SOSC
  • ManSiJing
  • 3,6-Di-2-chlorophenyl-1,2,4,5-tetrazine

Work with Clofentezine

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-Chlorobiphenyl2051-60-754 % similar 1,2-Dichlorobenzene95-50-150 % similar Chlorfenazole3574-96-745 % similar 5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-642 % similar 2-(O-Chlorophenyl)-4,5-diphenylimidazole1707-67-140 % similar 1,2,3-Trichlorobenzene87-61-639 % similar 2,2′-Bis(2-chlorophenyl)-4,4′,5,5′-tetraphenylbiimidazole1707-68-239 % similar 1-Chloro-2-fluorobenzene348-51-638 % similar

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

Elsewhere

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