chempirical

2,4-Dichloro-6-phenyl-1,3,5-triazine

C9H5Cl2N3CAS 1700-02-3226.06 g/mol

Open in Covalent MOL file
ClNClNN
Aryl halide

Properties

Molecular formula
C9H5Cl2N3
Molar mass
226.06 g/mol
Exact mass
224.9861 Da
Melting point
119–200 °C
Boiling point
136 °C (at 1 Torr)
logP
2.85Crippen estimate
Polar surface area
38.7 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Identifiers

CAS number
1700-02-3
SMILES
Clc1nc(Cl)nc(-c2ccccc2)n1
InChIKey
AMEVJOWOWQPPJQ-UHFFFAOYSA-N
InChI
InChI=1S/C9H5Cl2N3/c10-8-12-7(13-9(11)14-8)6-4-2-1-3-5-6/h1-5H

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

Names and synonyms

9 names
  • 1,3,5-Triazine, 2,4-dichloro-6-phenyl-
  • s-Triazine, 2,4-dichloro-6-phenyl-
  • 2,4-Dichloro-6-phenyl-1,3,5-s-triazine
  • 2-Phenyl-4,6-dichlorotriazine
  • 2,4-Dichloro-6-phenyl-s-triazine
  • 6-Phenyl-2,4-dichloro-s-triazine
  • NSC 51871
  • 4,6-Dichloro-2-phenyltriazine
  • 6-Phenyl-2,4-dichloro-1,3,5-triazine

Work with 2,4-Dichloro-6-phenyl-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-(4-Biphenylyl)-4,6-dichloro-1,3,5-triazine10202-45-690 % similar 2-Chloro-4,6-diphenyl-1,3,5-triazine3842-55-590 % similar 2,4,6-Triphenyl-1,3,5-triazine493-77-665 % similar Fenclorim3740-92-960 % similar 2,4,6-Tribiphenyl-4-yl-1,3,5-triazine31274-51-859 % similar 9-(4-Chloro-6-phenyl-1,3,5-triazin-2-yl)-9H-carbazole1268244-56-958 % similar 2,6-Diphenylpyridine3558-69-852 % similar 4-Chloro-2-phenylquinazoline6484-25-950 % similar

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

Elsewhere

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