chempirical

2,1,3-Benzoxadiazole-4-carboxaldehyde

C7H4N2O2CAS 32863-32-4148.12 g/mol

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ONON
Aldehyde

Properties

Molecular formula
C7H4N2O2
Molar mass
148.12 g/mol
Exact mass
148.0273 Da
logP
1.04Crippen estimate
Polar surface area
56.0 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
32863-32-4
SMILES
O=Cc1cccc2nonc12
InChIKey
YBBRQAXNTWMMFZ-UHFFFAOYSA-N
InChI
InChI=1S/C7H4N2O2/c10-4-5-2-1-3-6-7(5)9-11-8-6/h1-4H

Weigh it out

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

Names and synonyms

6 names
  • 4-Benzofurazancarboxaldehyde
  • 4-Formyl-2,1,3-benzoxadiazole
  • 4-Benzofurazanylcarboxaldehyde
  • 2,1,3-Benzoxadiazole-4-aldehyde
  • 2,1,3-Benzoxadiazole-4-carbaldehyde
  • Benzo[c][1,2,5]oxadiazole-4-carboxaldehyde

Work with 2,1,3-Benzoxadiazole-4-carboxaldehyde

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

2,1,3-Benzoxadiazol-4-amine767-63-548 % similar 2,1,3-Benzoxadiazole-4-sulfonyl chloride114322-14-445 % similar 2,1,3-Benzoxadiazole273-09-643 % similar 2-Chlorobenzaldehyde89-98-539 % similar 2-Bromonicotinaldehyde128071-75-039 % similar 4-Quinolinecarboxaldehyde4363-93-338 % similar 2,3-Dichlorobenzaldehyde6334-18-537 % similar Benzodioxole-4-carboxaldehyde7797-83-337 % similar

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

Same formula

5H-Pyrrolo[3,4-B]pyridine-5,7(6H)-dione4664-00-0 5-Cyanopicolinic acid53234-55-2 2-Nitrobenzonitrile612-24-8 3-Nitrobenzonitrile619-24-9 4-Nitrobenzonitrile619-72-7

Elsewhere

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