chempirical

1-Nitronaphthalene

C10H7NO2CAS 86-57-7173.17 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
Density
1.332 g/mL (at 20 °C)
Melting point
61 °C
Boiling point
304 °C
logP
2.75Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Identifiers

CAS number
86-57-7
SMILES
O=[N+]([O-])c1cccc2ccccc12
InChIKey
RJKGJBPXVHTNJL-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO2/c12-11(13)10-7-3-5-8-4-1-2-6-9(8)10/h1-7H

Weigh it out

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

Names and synonyms

6 names
  • Naphthalene, 1-nitro-
  • α-Nitronaphthalene
  • Nitrol (pesticide)
  • Nitrol
  • NSC 9584
  • 1-Nitronaphthaline

Work with 1-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

1,5-Dinitronaphthalene605-71-076 % similar 1,8-Dinitronaphthalene602-38-064 % similar 1,2-Dinitrobenzene528-29-064 % similar 5-Nitroisoquinoline607-32-964 % similar 4-Nitroisoquinoline36073-93-563 % similar 2-Nitro-1-naphthalenol607-24-961 % similar 1-Nitropyrene5522-43-059 % similar 2-Nitrochlorobenzene88-73-357 % 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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