As-(2-Nitrophenyl)arsonic acid

C₆H₆AsNO₅CAS 5410-29-7247.04 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₆H₆AsNO₅
Molar mass: 247.04 g/mol
Exact mass: 246.9462 Da
Melting point: 233 °C
logP: -0.84Crippen estimate
Polar surface area: 100.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

5410-29-7

SMILES

O=[N+]([O-])c1ccccc1[As](=O)(O)O

InChIKey

UYEDGVZDGVIURN-UHFFFAOYSA-N

InChI

InChI=1S/C6H6AsNO5/c9-7(10,11)5-3-1-2-4-6(5)8(12)13/h1-4H,(H2,9,10,11)

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Names and synonyms

8 names

Arsonic acid, As-(2-nitrophenyl)-
Benzenearsonic acid, o-nitro-
Arsonic acid, (2-nitrophenyl)-
(o-Nitrophenyl)arsonic acid
2-Nitrobenzenearsonic acid
2-Nitrophenylarsonic acid
o-Nitrobenzenearsonic acid
NSC 12609

Work with As-(2-Nitrophenyl)arsonic 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

1,2-Dinitrobenzene528-29-055 % similar Roxarsone121-19-750 % similar 2,2′-Dinitrobiphenyl2436-96-650 % similar 2-Nitrochlorobenzene88-73-350 % similar Nitrophenol88-75-550 % similar 2-Nitrobenzyl alcohol612-25-947 % similar 2,6-Dinitrophenol573-56-847 % similar 1-Bromo-2-nitrobenzene577-19-547 % similar

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

Same formula

Nitarsone98-72-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook