chempirical

1-Nitroanthraquinone

C14H7NO4CAS 82-34-8253.21 g/mol

Open in Covalent MOL file
OON+OO−
KetoneNitro

Properties

Molecular formula
C14H7NO4
Molar mass
253.21 g/mol
Exact mass
253.0375 Da
Melting point
231.5 °C
Boiling point
270 °C
logP
2.37Crippen estimate
Polar surface area
77.3 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
1

Identifiers

CAS number
82-34-8
SMILES
O=C1c2ccccc2C(=O)c2c1cccc2[N+](=O)[O-]
InChIKey
YCANAXVBJKNANM-UHFFFAOYSA-N
InChI
InChI=1S/C14H7NO4/c16-13-8-4-1-2-5-9(8)14(17)12-10(13)6-3-7-11(12)15(18)19/h1-7H

Weigh it out

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

Names and synonyms

7 names
  • 9,10-Anthracenedione, 1-nitro-
  • Anthraquinone, 1-nitro-
  • 1-Nitro-9,10-anthracenedione
  • α-Nitroanthraquinone
  • 1-Nitro-9,10-anthraquinone
  • NSC 12125
  • 1-Nitro-9,10-dihydroanthracene-9,10-dione

Work with 1-Nitroanthraquinone

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,5-Dinitro-9,10-anthracenedione82-35-990 % similar 1,8-Dinitro-9,10-anthracenedione129-39-587 % similar 2-Nitrobenzoic acid552-16-953 % similar 2-Nitrobenzoyl chloride610-14-053 % similar Dimethyl 3-nitrophthalate13365-26-952 % similar 3-Nitrophthalimide603-62-352 % similar 1,2-Dinitrobenzene528-29-052 % similar 3-Nitro-1,2-benzenedicarboxamide96385-50-151 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook