chempirical

Nitrophenol

C6H5NO3CAS 88-75-5139.11 g/mol

Open in Covalent MOL file
ON+O−HO
NitroPhenol

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Density
1.5 g/mL
Melting point
44–45 °C
Boiling point
216 °C
logP
1.30Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
88-75-5
SMILES
O=[N+]([O-])c1ccccc1O
InChIKey
IQUPABOKLQSFBK-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-6-4-2-1-3-5(6)7(9)10/h1-4,8H

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

Names and synonyms

7 names
  • Phenol, 2-nitro-
  • Phenol, o-nitro-
  • 2-Nitrophenol
  • o-Hydroxynitrobenzene
  • o-Nitrophenol
  • 2-Hydroxynitrobenzene
  • NSC 1552

Work with Nitrophenol

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

1,2-Dinitrobenzene528-29-067 % similar 2-Methyl-3-nitrophenol5460-31-165 % similar 2-Amino-3-nitrophenol603-85-065 % similar 3-Hydroxy-2-nitropyridine15128-82-261 % similar 4-Nitro-1-naphthol605-62-961 % similar 2,6-Dinitrophenol573-56-861 % similar 2-Nitroresorcinol601-89-861 % similar 4-Phenyl-2-nitrophenol885-82-561 % similar

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

Same formula

4-Nitrophenol100-02-7 3-Hydroxy-4-pyridinecarboxylic acid10128-71-9 Isonicotinic acid N-oxide13602-12-5 6-Hydroxypicolinic acid19621-92-2 Nicotinic acid N-oxide2398-81-4 5-Hydroxynicotinic acid27828-71-3 6-Hydroxynicotinic acid5006-66-6 3-Nitrophenol554-84-7

Elsewhere

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