chempirical

Phenylarsine oxide

C6H5AsOCAS 637-03-6168.03 g/mol

Open in Covalent MOL file
OAs

Properties

Molecular formula
C6H5AsO
Molar mass
168.03 g/mol
Exact mass
167.9556 Da
Melting point
145 °C
logP
0.36Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
637-03-6
SMILES
O=[As]c1ccccc1
InChIKey
BQVCCPGCDUSGOE-UHFFFAOYSA-N
InChI
InChI=1S/C6H5AsO/c8-7-6-4-2-1-3-5-6/h1-5H

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

Names and synonyms

7 names
  • NSC 42470
  • Arsine, oxophenyl-
  • Benzene, arsenoso-
  • Oxophenylarsine
  • Arsenosobenzene
  • Arzene
  • Phenylarsoxane

Work with Phenylarsine oxide

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

O-Terphenyl84-15-135 % similar Diphenyl disulfide882-33-735 % similar Biphenyl92-52-433 % similar Phenylseleninyl benzeneseleninate17697-12-032 % similar Para-quaterphenyl135-70-632 % similar 1,1′:4′,1′′:4′′,1′′′:4′′′,1′′′′:4′′′′,1′′′′′-Sexiphenyl4499-83-632 % similar Terphenyl92-94-432 % similar Benzaldehyde100-52-730 % similar

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

Elsewhere

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