chempirical

Benzeneseleninic acid

C6H6O2SeCAS 6996-92-5189.08 g/mol

Open in Covalent MOL file
OSeHO

Properties

Molecular formula
C6H6O2Se
Molar mass
189.08 g/mol
Exact mass
189.9533 Da
Melting point
124.5 °C
logP
-0.20Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
6996-92-5
SMILES
O=[Se](O)c1ccccc1
InChIKey
WIHKGDVGLJJAMC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6O2Se/c7-9(8)6-4-2-1-3-5-6/h1-5H,(H,7,8)

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Names and synonyms

2 names
  • Phenylseleninic acid
  • Benzeneselenic acid

Work with Benzeneseleninic acid

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

Phenylseleninyl benzeneseleninate17697-12-044 % similar Phenol formaldehyde resin9003-35-433 % similar Tetraphenylmethane630-76-230 % similar Phenylsilane694-53-130 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook