1-Fluoro-3-iodo-5-nitrobenzene

C₆H₃FINO₂CAS 3819-88-3267.00 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 irritation97.9% of notifiers

Aggregated from 47 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

3819-88-3

SMILES

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

InChIKey

MXPYCSFCKXSPAB-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 1-Fluoro-3-iodo-5-nitrobenzene

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

1,3-Difluoro-5-nitrobenzene2265-94-371 % similar 1-Iodo-3,5-dinitrobenzene6276-04-671 % similar 1-Bromo-3-fluoro-5-nitrobenzene7087-65-261 % similar 3-Fluoro-5-nitrobenzenamine2369-12-259 % similar 1-Fluoro-3-methyl-5-nitrobenzene499-08-159 % similar 1-Fluoro-3-nitrobenzene402-67-555 % similar 1-Iodo-3-nitrobenzene645-00-153 % similar 3-Fluoro-5-nitrobenzoic acid14027-75-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-iodonitrobenzene2996-30-7 1-Fluoro-4-iodo-2-nitrobenzene364-75-0 4-Fluoro-1-iodo-2-nitrobenzene364-77-2

Elsewhere

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