1-Fluoro-4-iodo-2-nitrobenzene

C6H3FINO2CAS 364-75-0267.00 g/mol

Open in Covalent MOL file
ON+O−IF
Aryl halideNitro

Properties

Molecular formula
C6H3FINO2
Molar mass
267.00 g/mol
Exact mass
266.9193 Da
logP
2.34Crippen estimate
Polar surface area
43.1 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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
364-75-0
SMILES
O=[N+]([O-])c1cc(I)ccc1F
InChIKey
KUJTZQXHTBKAMO-UHFFFAOYSA-N
InChI
InChI=1S/C6H3FINO2/c7-5-2-1-4(8)3-6(5)9(10)11/h1-3H

Weigh it out

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

Names and synonyms

2 names
  • Benzene, 1-fluoro-4-iodo-2-nitro-
  • 2-Fluoro-5-iodonitrobenzene

Work with 1-Fluoro-4-iodo-2-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

2,5-Difluoronitrobenzene364-74-966 % similar 1-Fluoro-2,4-dinitrobenzene70-34-864 % similar 4-Iodo-2-nitrotoluene41252-97-562 % similar 4-Iodo-2-nitrobenzenamine20691-72-960 % similar 4-Fluoro-3-nitrophenol2105-96-660 % similar 4-Chloro-1-fluoro-2-nitrobenzene345-18-660 % similar 4-Bromo-1-fluoro-2-nitrobenzene364-73-860 % similar 4-Fluoro-3-nitroaniline364-76-160 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-iodonitrobenzene2996-30-7 4-Fluoro-1-iodo-2-nitrobenzene364-77-2 1-Fluoro-3-iodo-5-nitrobenzene3819-88-3

Elsewhere

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