chempirical

Macrolex yellow

C20H17ClN2O3CAS 94945-27-4368.82 g/mol

Open in Covalent MOL file
NNClOOO
Aryl halideTertiary amine

Properties

Molecular formula
C20H17ClN2O3
Molar mass
368.82 g/mol
Exact mass
368.0928 Da
Melting point
195–196 °C
logP
5.10Crippen estimate
Polar surface area
59.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
4

Identifiers

CAS number
94945-27-4
SMILES
CCN(CC)c1ccc2cc(-c3nc4cc(Cl)ccc4o3)c(=O)oc2c1
InChIKey
CBNSBRVOBGWOBM-UHFFFAOYSA-N
InChI
InChI=1S/C20H17ClN2O3/c1-3-23(4-2)14-7-5-12-9-15(20(24)26-18(12)11-14)19-22-16-10-13(21)6-8-17(16)25-19/h5-11H,3-4H2,1-2H3

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Names and synonyms

12 names
  • 2H-1-Benzopyran-2-one, 3-(5-chloro-2-benzoxazolyl)-7-(diethylamino)-
  • 3-(5-Chloro-2-benzoxazolyl)-7-(diethylamino)-2H-1-benzopyran-2-one
  • Intrasil brilliant yellow 10GF
  • Macrolex fluorescent yellow 10GN
  • C.I. Disperse yellow 232
  • Disperse yellow 232
  • C.I. 55165
  • Macrolex 10GN
  • Solvent yellow 160:1
  • C.I. Solvent yellow 160:1
  • Macrolex fluorescent yellow
  • Macrolex fl yellow 10GN

Work with Macrolex yellow

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

Coumarin 727425-55-457 % similar Coumarin 638215-36-056 % similar 5-Chloro-2-methylbenzoxazole19219-99-938 % similar 3-(Diethylamino)-7-oxo-7H-[1]benzopyrano[3′,2′:3,4]pyrido[1,2-A]benzimidazole-6-carbonitrile52372-36-837 % similar Nile red7385-67-337 % similar 5-Chloro-2-mercaptobenzoxazole22876-19-336 % similar Chlorzoxazone95-25-036 % similar Coumarin 191-44-135 % similar

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

Elsewhere

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