chempirical

1-Nitro-2-naphthol

C10H7NO3CAS 550-60-7189.17 g/mol

Open in Covalent MOL file
N+OO−OH
NitroPhenol

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
logP
2.45Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
550-60-7
SMILES
C1=CC=C2C(=C1)C=CC(=C2[N+](=O)[O-])O
InChIKey
SSHIVHKMGVBXTJ-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-9-6-5-7-3-1-2-4-8(7)10(9)11(13)14/h1-6,12H

Weigh it out

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

Names and synonyms

11 names
  • 1-Nitronaphthalen-2-ol
  • 2-Naphthalenol, 1-nitro-
  • 1-Nitro-2-naphthalenol
  • 1-Nitro-2-hydroxynaphthalene
  • 1-Nitro-beta-naphthol
  • Alpha-Nitro-beta-naphthol
  • .Alpha.-Nitro-.beta.-naphthol
  • 1-Nitro-.beta.-naphthol
  • 2-Hydroxy-1-nitronaphthalene
  • 1-Nitro-bet
  • 1-Nitro-naphthalen-2-ol

Work with 1-Nitro-2-naphthol

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-Methyl-1-nitronaphthalene881-03-861 % similar 2-Nitroresorcinol601-89-859 % similar 2-Nitro-1-naphthalenol607-24-957 % similar 4-Nitro-1-naphthol605-62-956 % similar Para red6410-10-255 % similar 2,4-Dinitroresorcinol519-44-853 % similar 1-Nitronaphthalene86-57-751 % similar 3-Fluoro-2-nitrophenol385-01-350 % similar

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

Same formula

1,4-Dihydro-4-oxoquinoline-2-carboxylic acid13593-94-7 1,4-Dihydro-4-oxo-3-quinolinecarboxylic acid13721-01-2 Indole-3-glyoxylic acid1477-49-2 8-Hydroxyquinoline-2-carboxylic acid1571-30-8 2-Hydroxycinchoninic acid15733-89-8 α-Cyano-4-hydroxycinnamic acid28166-41-8 1,3-Dihydro-1,3-dioxo-2H-isoindole-2-acetaldehyde2913-97-5 Kynurenic acid492-27-3

Elsewhere

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