3-Nitrodibenzofuran

C12H7NO3CAS 5410-97-9213.19 g/mol

Open in Covalent MOL file
ON+O−O
Nitro

Properties

Molecular formula
C12H7NO3
Molar mass
213.19 g/mol
Exact mass
213.0426 Da
Melting point
181.5 °C
logP
3.49Crippen estimate
Polar surface area
56.3 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, P501

Identifiers

CAS number
5410-97-9
SMILES
O=[N+]([O-])c1ccc2c(c1)oc1ccccc12
InChIKey
UVFAHDAUVZRVCC-UHFFFAOYSA-N
InChI
InChI=1S/C12H7NO3/c14-13(15)8-5-6-10-9-3-1-2-4-11(9)16-12(10)7-8/h1-7H

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Names and synonyms

3 names
  • Dibenzofuran, 3-nitro-
  • NSC 10862
  • 3-Nitrodibenzo[b,d]furan

Work with 3-Nitrodibenzofuran

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-Nitrocarbazole14191-22-154 % similar 2-Nitronaphthalene581-89-550 % similar 1,3-Dinitrobenzene99-65-048 % similar Dibenzofuran132-64-947 % similar 6-Nitro-benzooxazole-2-thiol14541-93-647 % similar 6-Nitro-2-benzoxazolone4694-91-147 % similar 2-Methyl-6-nitrobenzoxazole5683-43-247 % similar 3-Bromodibenzofuran26608-06-046 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Resorufin635-78-9 4-Aminonaphthalene-1,8-dicarboxylic anhydride6492-86-0 N-Hydroxynaphthalimide7797-81-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook