4-Nitro-3-iodoanisole

C₇H₆INO₃CAS 214279-40-0279.03 g/mol

Open in Covalent MOL file

Aryl halide Ether Nitro

Properties

Molecular formula: C₇H₆INO₃
Molar mass: 279.03 g/mol
Exact mass: 278.9392 Da
logP: 2.21Crippen estimate
Polar surface area: 52.4 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 2

Identifiers

CAS number

214279-40-0

SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])I

InChIKey

NLTAHTYBZZSCIT-UHFFFAOYSA-N

InChI

InChI=1S/C7H6INO3/c1-12-5-2-3-7(9(10)11)6(8)4-5/h2-4H,1H3

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

Names and synonyms

1 names

3-Iodo-4-nitroanisole

Work with 4-Nitro-3-iodoanisole

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-Methyl-4-nitroanisole5367-32-869 % similar 5-Methoxy-2-nitrobenzenamine16133-49-667 % similar 2,4-Dimethoxy-1-nitrobenzene4920-84-767 % similar 4-Methoxy-1-methyl-2-nitrobenzene17484-36-565 % similar 5-Methoxy-2-nitrophenol704-14-363 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-462 % similar 4-Methoxy-2-nitroaniline96-96-861 % similar 5-Methoxy-2-nitrobenzaldehyde20357-24-860 % similar

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

Same formula

2-Iodo-1-methoxy-4-nitrobenzene5399-03-1

Elsewhere

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