2,4-Difluoro-5-nitrophenol

C₆H₃F₂NO₃CAS 113512-57-5175.09 g/mol

Open in Covalent MOL file

Aryl halide Nitro Phenol

Properties

Molecular formula: C₆H₃F₂NO₃
Molar mass: 175.09 g/mol
Exact mass: 175.0081 Da
logP: 1.58Crippen estimate
Polar surface area: 63.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Identifiers

CAS number

113512-57-5

SMILES

C1=C(C(=CC(=C1O)F)F)[N+](=O)[O-]

InChIKey

SMRYCTJAGPDVEH-UHFFFAOYSA-N

InChI

InChI=1S/C6H3F2NO3/c7-3-1-4(8)6(10)2-5(3)9(11)12/h1-2,10H

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Work with 2,4-Difluoro-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

1,5-Difluoro-2,4-dinitrobenzene327-92-471 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-569 % similar 1-Chloro-2,4-difluoro-5-nitrobenzene1481-68-159 % similar 1-Bromo-2,4-difluoro-5-nitrobenzene345-24-459 % similar 3-Fluoro-4-nitrophenol394-41-257 % similar 1,2-Dichloro-4-fluoro-5-nitrobenzene2339-78-856 % similar 4,6-Dinitroresorcinol616-74-055 % similar 2,4-Dinitro-5-fluoroaniline367-81-754 % similar

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

Same formula

2,4-Difluoro-6-nitrophenol364-31-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook