chempirical

2,7-Dinitrofluorene

C13H8N2O4CAS 5405-53-8256.22 g/mol

Open in Covalent MOL file
ON+O−N+OO−
Nitro

Properties

Molecular formula
C13H8N2O4
Molar mass
256.22 g/mol
Exact mass
256.0484 Da
Melting point
334 °C
logP
3.07Crippen estimate
Polar surface area
86.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Identifiers

CAS number
5405-53-8
SMILES
O=[N+]([O-])c1ccc2c(c1)Cc1cc([N+](=O)[O-])ccc1-2
InChIKey
IHZCVUBSTYOFSJ-UHFFFAOYSA-N
InChI
InChI=1S/C13H8N2O4/c16-14(17)10-1-3-12-8(6-10)5-9-7-11(15(18)19)2-4-13(9)12/h1-4,6-7H,5H2

Weigh it out

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

Names and synonyms

4 names
  • 9H-Fluorene, 2,7-dinitro-
  • Fluorene, 2,7-dinitro-
  • 2,7-Dinitro-9H-fluorene
  • NSC 5180

Work with 2,7-Dinitrofluorene

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-Nitrofluorene607-57-883 % similar 5-Nitro-2-indanone116530-60-054 % similar 2,7-Dinitro-9-fluorenone31551-45-853 % similar 5-Nitroindoline32692-19-653 % similar 1,3-Dinitrobenzene99-65-052 % similar 1,2,3,4-Tetrahydro-7-nitroisoquinoline42923-79-551 % similar 2-Hydroxy-5-nitrobenzyl bromide772-33-851 % similar 2-Chloro-5-nitrobenzenemethanol80866-80-451 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook