chempirical

4-Nitro-1-naphthol

C10H7NO3CAS 605-62-9189.17 g/mol

Open in Covalent MOL file
ON+O−OH
NitroPhenol

Properties

Molecular formula
C10H7NO3
Molar mass
189.17 g/mol
Exact mass
189.0426 Da
Melting point
150–151 °C
logP
2.45Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
605-62-9
SMILES
O=[N+]([O-])c1ccc(O)c2ccccc12
InChIKey
AUIRNGLMBHIITH-UHFFFAOYSA-N
InChI
InChI=1S/C10H7NO3/c12-10-6-5-9(11(13)14)7-3-1-2-4-8(7)10/h1-6,12H

Weigh it out

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

Names and synonyms

7 names
  • 1-Naphthalenol, 4-nitro-
  • 1-Naphthol, 4-nitro-
  • 4-Nitro-1-naphthalenol
  • 1-Hydroxy-4-nitronaphthalene
  • 4-Nitro-α-naphthol
  • 4-Nitro-1-hydroxynaphthalene
  • NSC 400336

Work with 4-Nitro-1-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

Nitroxoline4008-48-462 % similar 1,5-Dinitronaphthalene605-71-062 % similar Nitrophenol88-75-561 % similar Martius yellow605-69-657 % similar 2,4-Dinitroresorcinol519-44-856 % similar 2-Nitro-1-naphthalenol607-24-956 % similar 1-Nitronaphthalene86-57-755 % similar 4-Phenyl-2-nitrophenol885-82-554 % 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 5-Phenylisoxazole-3-carboxylic acid14441-90-8 3-Phenyl-5-isoxazolecarboxylic acid14442-12-7 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

Elsewhere

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