3-Fluoro-4-iodonitrobenzene

C₆H₃FINO₂CAS 2996-30-7267.00 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₆H₃FINO₂
Molar mass: 267.00 g/mol
Exact mass: 266.9193 Da
logP: 2.34Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 0 / 2
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 the 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

2996-30-7

SMILES

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

InChIKey

QLAFWGDKYKHVKC-UHFFFAOYSA-N

InChI

InChI=1S/C6H3FINO2/c7-5-3-4(9(10)11)1-2-6(5)8/h1-3H

Weigh it out

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

Work with 3-Fluoro-4-iodonitrobenzene

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

3,4-Difluoronitrobenzene369-34-668 % similar 2-Fluoro-1-methyl-4-nitrobenzene1427-07-265 % similar 2,4-Dinitroiodobenzene709-49-964 % similar 1-Iodo-2-methyl-4-nitrobenzene5326-38-562 % similar 1-Bromo-2-fluoro-4-nitrobenzene185331-69-560 % similar 1-Chloro-2-fluoro-4-nitrobenzene350-31-260 % similar 2-Fluoro-4-nitrobenzenamine369-35-760 % similar 2-Fluoro-4-nitrophenol403-19-060 % similar

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

Same formula

1-Fluoro-4-iodo-2-nitrobenzene364-75-0 4-Fluoro-1-iodo-2-nitrobenzene364-77-2 1-Fluoro-3-iodo-5-nitrobenzene3819-88-3

Elsewhere

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