chempirical

3-Nitrophenol

C6H5NO3CAS 554-84-7139.11 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
1.2797 g/mL (at 100 °C)
Melting point
97 °C
Boiling point
194 °C (at 70 Torr)
logP
1.30Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
554-84-7
SMILES
O=[N+]([O-])c1cccc(O)c1
InChIKey
RTZZCYNQPHTPPL-UHFFFAOYSA-N
InChI
InChI=1S/C6H5NO3/c8-6-3-1-2-5(4-6)7(9)10/h1-4,8H

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Names and synonyms

7 names
  • Phenol, 3-nitro-
  • Phenol, m-nitro-
  • m-Nitrophenol
  • m-Hydroxynitrobenzene
  • 3-Hydroxynitrobenzene
  • 1-Hydroxy-3-nitrobenzene
  • NSC 1551

Reactions

Work with 3-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,3-Dinitrobenzene99-65-069 % similar 1-Fluoro-3-nitrobenzene402-67-558 % similar Bis(3-nitrophenyl) disulfide537-91-756 % similar 1-Bromo-3-nitrobenzene585-79-556 % similar 1-Iodo-3-nitrobenzene645-00-156 % similar 3-Nitrotoluene99-08-156 % similar 3-Nitroaniline99-09-256 % similar 3-Nitrophenylboronic acid13331-27-656 % 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 4-Hydroxynicotinic acid609-70-1

Elsewhere

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