3,4-Difluoro-6-nitrophenol

C₆H₃F₂NO₃CAS 55346-97-9175.09 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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

55346-97-9

SMILES

C1=C(C(=CC(=C1F)F)O)[N+](=O)[O-]

InChIKey

KZODZOGGCQZLNF-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

4,5-Difluoro-2-nitrophenol

Work with 3,4-Difluoro-6-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

5-Fluoro-4-methyl-2-nitrophenol83341-28-073 % similar 4,6-Dinitroresorcinol616-74-068 % similar 1,2,4-Trifluoro-5-nitrobenzene2105-61-566 % similar 4-Fluoro-2-nitrophenol394-33-261 % similar 5-Fluoro-2-nitrophenol446-36-659 % similar 2-Chloro-4-fluoro-5-nitrophenol84478-75-158 % similar 2-Bromo-4-fluoro-5-nitrophenol84478-87-558 % similar 1,2-Difluoro-4-methyl-5-nitrobenzene127371-50-058 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,4-Difluoro-5-nitrophenol113512-57-5 2,4-Difluoro-6-nitrophenol364-31-8 2,3-Difluoro-6-nitrophenol82419-26-9

Elsewhere

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