N-Phenylsydnone

C8H6N2O2CAS 120-06-9162.15 g/mol

Open in Covalent MOL file
N+NOO−

Properties

Molecular formula
C8H6N2O2
Molar mass
162.15 g/mol
Exact mass
162.0429 Da
logP
0.02Crippen estimate
Polar surface area
53.0 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
120-06-9
SMILES
C1=CC=C(C=C1)[N+]2=NOC(=C2)[O-]
InChIKey
KQEVEDHJIGSXDK-UHFFFAOYSA-N
InChI
InChI=1S/C8H6N2O2/c11-8-6-10(9-12-8)7-4-2-1-3-5-7/h1-6H

Weigh it out

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

Names and synonyms

12 names
  • 3-Phenyloxadiazol-3-ium-5-olate
  • 1,2,3-Oxadiazolium, 5-hydroxy-3-phenyl-, inner salt
  • 3-Phenylsydnone
  • Sydnone, 3-phenyl-
  • 3-Phenyl-1,2,3-oxadiazol-3-ium-5-olate
  • Phenylsydnone
  • 3-Phenyl-1,2,3-oxadiazolin-5-one
  • N-Phenyl sydnone
  • 3-(Phenyl)sydnone
  • 3-Phenyl syd-none
  • 1,2,3-Oxadiazolium,5-hydroxy-3-phenyl-, inner salt
  • 5-Oxo-3-phenyl-2,5-dihydro-1,2,3-oxadiazol-3-ium-2-ide

Reactions

Work with N-Phenylsydnone

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

Same formula

Pyrazolo[1,5-A]pyridine-5-carboxylic acid104468-87-3 3-(5-Azaindole)carboxylic acid119248-43-0 Imidazo[1,2-A]pyridine-8-carboxylic acid133427-08-4 1H-Pyrrolo[2,3-B]pyridine-2-carboxylic acid136818-50-3 Imidazo(1,2-a)pyridine-6-carboxylic acid139022-25-6 2,3-Dihydro-1,4-phthalazinedione1445-69-8 1H-Pyrrolo(2,3-b)pyridine-3-carboxylic acid156270-06-3 1H-Benzimidazole-5-carboxylic acid15788-16-6

Elsewhere

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