chempirical

Benzeneselenol

C6H6SeCAS 645-96-5157.09 g/mol

Open in Covalent MOL file
HSe

Properties

Molecular formula
C6H6Se
Molar mass
157.09 g/mol
Exact mass
157.9635 Da
Boiling point
183.6 °C
logP
0.21Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
645-96-5
SMILES
[SeH]c1ccccc1
InChIKey
WDODWFPDZYSKIA-UHFFFAOYSA-N
InChI
InChI=1S/C6H6Se/c7-6-4-2-1-3-5-6/h1-5,7H

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Names and synonyms

5 names
  • Benzene, selenyl-
  • Phenol, seleno-
  • Phenyl selenol
  • Phenyl selenomercaptan
  • Selenophenol

Reactions

Work with Benzeneselenol

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3,5-Triphenylbenzene612-71-550 % similar Biphenyl92-52-450 % similar Para-quaterphenyl135-70-647 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-647 % similar Terphenyl92-94-447 % similar Diphenyl diselenide1666-13-341 % similar O-Terphenyl84-15-141 % similar M-Terphenyl92-06-839 % similar

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

Elsewhere

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