chempirical

4-Chloro-2-nitrophenol

C6H4ClNO3CAS 89-64-5173.55 g/mol

Open in Covalent MOL file
ON+O−ClHO
Aryl halideNitroPhenol

Properties

Molecular formula
C6H4ClNO3
Molar mass
173.55 g/mol
Exact mass
172.9880 Da
Melting point
88.5 °C
logP
1.95Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
89-64-5
SMILES
O=[N+]([O-])c1cc(Cl)ccc1O
InChIKey
NWSIFTLPLKCTSX-UHFFFAOYSA-N
InChI
InChI=1S/C6H4ClNO3/c7-4-1-2-6(9)5(3-4)8(10)11/h1-3,9H

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Names and synonyms

6 names
  • Phenol, 4-chloro-2-nitro-
  • 2-Nitro-4-chlorophenol
  • 5-Chloro-2-hydroxynitrobenzene
  • p-Chloro-o-nitrophenol
  • NSC 520345
  • 4-Chloro-6-nitrophenol

Work with 4-Chloro-2-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

4-Chloro-1,2-dinitrobenzene610-40-268 % similar 2,4-Dinitrophenol51-28-564 % similar 1,4-Dichloro-2-nitrobenzene89-61-264 % similar 4-Fluoro-2-nitrophenol394-33-262 % similar 4-Chloro-2-nitrobenzaldehyde5551-11-161 % similar 4-Methyl-2-nitrophenol119-33-560 % similar 4-Amino-2-nitrophenol119-34-660 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar

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

Same formula

2-Chloro-6-nitrophenol603-86-1 4-Chloro-3-nitrophenol610-78-6 Nitrofungin619-08-9 2-Chloro-5-nitrophenol619-10-3

Elsewhere

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