chempirical

Roxarsone

C6H6AsNO6CAS 121-19-7263.04 g/mol

Open in Covalent MOL file
ON+O−AsOOHHOHO
NitroPhenol

Properties

Molecular formula
C6H6AsNO6
Molar mass
263.04 g/mol
Exact mass
262.9411 Da
Density
2.02 g/mL
logP
-1.14Crippen estimate
Polar surface area
120.9 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
2

Identifiers

CAS number
121-19-7
SMILES
O=[N+]([O-])c1cc([As](=O)(O)O)ccc1O
InChIKey
XMVJITFPVVRMHC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6AsNO6/c9-6-2-1-4(7(10,11)12)3-5(6)8(13)14/h1-3,9H,(H2,10,11,12)

Weigh it out

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

Names and synonyms

19 names · show all
  • Arsonic acid, As-(4-hydroxy-3-nitrophenyl)-
  • Benzenearsonic acid, 4-hydroxy-3-nitro-
  • Arsonic acid, (4-hydroxy-3-nitrophenyl)-
  • As-(4-Hydroxy-3-nitrophenyl)arsonic acid
  • Aklomix-3
  • 4-Hydroxy-3-nitrobenzenearsonic acid
  • 4-Hydroxy-3-nitrophenylarsonic acid
  • 2-Nitro-1-hydroxybenzene-4-arsonic acid
  • 3-Nitro-4-hydroxybenzenearsonic acid
  • 3-Nitro-4-hydroxyphenylarsonic acid
  • Ristat
  • Ren-O-sal
  • 3-Nitro-10
  • 3-Nitro-20
  • 3-Nitro-50
  • 3-Nitro-80
  • 3-Nitro
  • p-Hydroxy-m-nitrophenylarsonic acid
  • NSC 2101

Work with Roxarsone

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

2,4-Dinitrophenol51-28-557 % similar 4-Fluoro-2-nitrophenol394-33-255 % similar 4-Methyl-2-nitrophenol119-33-554 % similar 4-Amino-2-nitrophenol119-34-654 % similar 4-Bromo-2-nitrophenol7693-52-954 % similar 4-Chloro-2-nitrophenol89-64-554 % similar 4,6-Dinitroresorcinol616-74-051 % similar 4-Hydroxy-3-nitrobenzaldehyde3011-34-551 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia