9-Nitroanthracene

C₁₄H₉NO₂CAS 602-60-8223.23 g/mol

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Properties

Molecular formula: C₁₄H₉NO₂
Molar mass: 223.23 g/mol
Exact mass: 223.0633 Da
Melting point: 146 °C
Boiling point: 275 °C
Water solubility: < 100 mg/L (17.8 °C)
logP: 3.90Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

602-60-8

SMILES

O=[N+]([O-])c1c2ccccc2cc2ccccc12

InChIKey

LSIKFJXEYJIZNB-UHFFFAOYSA-N

InChI

InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H

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Names and synonyms

3 names

Anthracene, 9-nitro-
5-Nitroanthracene
NSC 47175

Reactions

9-NITROANTHRACENE (Anthracene, 9-nitro-)product

Work with 9-Nitroanthracene

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

2-Methyl-1-nitronaphthalene881-03-861 % similar 1-Nitronaphthalene86-57-760 % similar 1,5-Dinitronaphthalene605-71-052 % similar 2-Nitronaphthalene581-89-550 % similar 4-Nitroisoquinoline36073-93-549 % similar 1,3-Difluoro-2-nitrobenzene19064-24-548 % similar 2-Nitroresorcinol601-89-848 % similar 1,8-Dinitronaphthalene602-38-048 % similar

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

Same formula

2-Aminoanthraquinone117-79-3 N-Phenylphthalimide520-03-6 1-Phenylisatin723-89-7 1-Aminoanthraquinone82-45-1

Elsewhere

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