chempirical

2-Nitronaphthalene

C10H7NO2CAS 581-89-5173.17 g/mol

Open in Covalent MOL file
ON+O−
Nitro

Properties

Molecular formula
C10H7NO2
Molar mass
173.17 g/mol
Exact mass
173.0477 Da
Melting point
79 °C
Boiling point
314 °C
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
581-89-5
SMILES
O=[N+]([O-])c1ccc2ccccc2c1
InChIKey
ZJYJZEAJZXVAMF-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-11(13)10-6-5-8-3-1-2-4-9(8)7-10/h1-7H

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Names and synonyms

2 names
  • Naphthalene, 2-nitro-
  • β-Nitronaphthalene

Work with 2-Nitronaphthalene

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

6-Nitroquinoline613-50-359 % similar 7-Nitroquinoline613-51-459 % similar 1,4-Dinitrobenzene100-25-456 % similar Nitrobenzene98-95-356 % similar 4-Nitro-1,1′-biphenyl92-93-353 % similar 6-Nitroindole4769-96-453 % similar 5-Nitroindole6146-52-753 % similar 6-Nitrocoumarin2725-81-753 % similar

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

Same formula

α-Cyanocinnamic acid1011-92-3 6-Quinolinecarboxylic acid10349-57-2 6-Isoquinolinecarboxylic acid106778-43-2 1-Nitroso-2-naphthol131-91-9 2-Nitroso-1-naphthol132-53-6 8-Hydroxyquinoline-2-carboxaldehyde14510-06-6 3-(4-Cyanophenyl)-2-propenoic acid18664-39-6 Vinylphthalimide3485-84-5

Elsewhere

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