chempirical

5-Methoxy-2-methylbenzoselenazole

C9H9NOSeCAS 2946-17-0226.15 g/mol

Open in Covalent MOL file
OSeN
Ether

Properties

Molecular formula
C9H9NOSe
Molar mass
226.15 g/mol
Exact mass
226.9849 Da
Boiling point
162 °C (at 10 Torr)
logP
1.61Crippen estimate
Polar surface area
22.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
2946-17-0
SMILES
COc1ccc2[se]c(C)nc2c1
InChIKey
LVIYTMFDCXRSDL-UHFFFAOYSA-N
InChI
InChI=1S/C9H9NOSe/c1-6-10-8-5-7(11-2)3-4-9(8)12-6/h3-5H,1-2H3

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Names and synonyms

3 names
  • Benzoselenazole, 5-methoxy-2-methyl-
  • 2-Methyl-5-methoxybenzoselenazole
  • NSC 366221

Work with 5-Methoxy-2-methylbenzoselenazole

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-Methylbenzoselenazole2818-88-452 % similar 5-Methoxy-2-methylbenzothiazole2941-69-746 % similar 2,3-Dichloro-6-methoxyquinoxaline39267-04-446 % similar 6-Methoxy-2-methylquinoline1078-28-044 % similar 6-Methoxy-2-methylbenzothiazole2941-72-243 % similar 3,4-Dimethylanisole4685-47-641 % similar 2,6-Dimethoxynaphthalene5486-55-541 % similar 2,7-Dimethoxynaphthalene3469-26-939 % similar

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

Elsewhere

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