chempirical

2-Nitrophenyl selenocyanate

C7H4N2O2SeCAS 51694-22-5227.09 g/mol

Open in Covalent MOL file
NSeN+OO−
NitrileNitro

Properties

Molecular formula
C7H4N2O2Se
Molar mass
227.09 g/mol
Exact mass
227.9438 Da
Melting point
142 °C
logP
0.41Crippen estimate
Polar surface area
66.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
51694-22-5
SMILES
N#C[Se]c1ccccc1[N+](=O)[O-]
InChIKey
LHBLJWULWKQRON-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O2Se/c8-5-12-7-4-2-1-3-6(7)9(10)11/h1-4H

Weigh it out

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Names and synonyms

5 names
  • Selenocyanic acid, 2-nitrophenyl ester
  • o-Nitrophenyl selenocyanate
  • o-Nitrophenyl selenocyanide
  • o-Nitrophenylselenyl cyanide
  • 1-Nitro-2-selenocyanatobenzene

Work with 2-Nitrophenyl selenocyanate

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 2-Nitrobenzonitrile612-24-851 % similar 2-Nitrobenzeneacetonitrile610-66-247 % similar 1-Bromo-2-nitrobenzene577-19-547 % similar 3-Nitrophthalonitrile51762-67-546 % similar Bis(2-nitrophenyl) disulfide1155-00-646 % similar 1-Fluoro-2-nitrobenzene1493-27-246 % similar 2,2′-Dinitrodibenzyl16968-19-746 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook