chempirical

1-Fluoro-3-iodo-5-nitrobenzene

C6H3FINO2CAS 3819-88-3267.00 g/mol

Open in Covalent MOL file
FIN+OO−
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

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

PubChem CAS Common Chemistry NIST WebBook