chempirical

4-Nitrophenol

C6H5NO3CAS 100-02-7139.11 g/mol

Open in Covalent MOL file
ON+O−OH
NitroPhenol

Properties

Molecular formula
C6H5NO3
Molar mass
139.11 g/mol
Exact mass
139.0269 Da
Density
1.5 g/mL
Melting point
113–114 °C
Boiling point
279 °C
logP
1.30Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
100-02-7
SMILES
O=[N+]([O-])c1ccc(O)cc1
InChIKey
BTJIUGUIPKRLHP-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H

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Names and synonyms

9 names
  • Phenol, 4-nitro-
  • Phenol, p-nitro-
  • p-Nitrophenol
  • p-Hydroxynitrobenzene
  • 4-Hydroxynitrobenzene
  • Niphen
  • 1-Hydroxy-4-nitrobenzene
  • 4-Hydroxy-1-nitrobenzene
  • NSC 1317

Work with 4-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

4′-Nitro[1,1′-biphenyl]-4-ol3916-44-788 % similar 1,4-Dinitrobenzene100-25-471 % similar 4-[4-(4-Nitrophenyl)-1-piperazinyl]phenol112559-81-670 % similar 4,4′-Dinitro-1,1′-biphenyl1528-74-163 % similar 1-Bromo-4-nitrobenzene586-78-762 % similar Nitrobenzene98-95-356 % similar 4-Nitrochlorobenzene100-00-556 % similar 4-Nitroaniline100-01-656 % similar

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

Same formula

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 4-Hydroxynicotinic acid609-70-1

Elsewhere

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