chempirical

2-Chloro-4-fluoro-5-nitrophenol

C6H3ClFNO3CAS 84478-75-1191.54 g/mol

Open in Covalent MOL file
HOClFN+OO−
Aryl halideNitroPhenol

Properties

Molecular formula
C6H3ClFNO3
Molar mass
191.54 g/mol
Exact mass
190.9785 Da
logP
2.09Crippen estimate
Polar surface area
63.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
84478-75-1
SMILES
C1=C(C(=CC(=C1O)Cl)F)[N+](=O)[O-]
InChIKey
NAWVMCKMQMJQMF-UHFFFAOYSA-N
InChI
InChI=1S/C6H3ClFNO3/c7-3-1-4(8)5(9(11)12)2-6(3)10/h1-2,10H

Weigh it out

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

Names and synonyms

1 names
  • Phenol, 2-chloro-4-fluoro-5-nitro-

Work with 2-Chloro-4-fluoro-5-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

1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-873 % similar 2,4-Difluoro-5-nitrophenol113512-57-571 % similar 2,4-Dichloro-5-nitrophenol39489-77-571 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-568 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-166 % similar 2-Chloro-4-fluoro-5-nitrotoluene112108-73-363 % similar 2-Chloro-4-fluoro-5-nitrobenzoic acid114776-15-760 % similar 1-Chloro-5-fluoro-2-methoxy-4-nitrobenzene84478-76-259 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook