4-Iodo-3-nitroanisole

C₇H₆INO₃CAS 58755-70-7279.03 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

Hazards

Warning

H302 Harmful if swallowed87% of notifiers
H315 Causes skin irritation15.2% of notifiers
H319 Causes serious eye irritation15.2% of notifiers
H335 May cause respiratory irritation13% of notifiers

Aggregated from 46 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58755-70-7

SMILES

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

InChIKey

JWZODIRSJJQOKY-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 4-Iodo-3-nitroanisole

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

4-Methoxy-1-methyl-2-nitrobenzene17484-36-569 % similar 1,4-Dimethoxy-2-nitrobenzene89-39-467 % similar 3-Methyl-4-nitroanisole5367-32-865 % similar 4-Methoxy-2-nitroaniline96-96-865 % similar 1-Chloro-4-methoxy-2-nitrobenzene10298-80-363 % similar 4-Methoxy-2-nitrophenol1568-70-363 % similar 1-Bromo-4-methoxy-2-nitrobenzene5344-78-563 % similar 4-Fluoro-3-nitroanisole61324-93-463 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Nitro-3-iodoanisole214279-40-0 2-Iodo-1-methoxy-4-nitrobenzene5399-03-1 2-Iodo-5-nitroanisole5458-84-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook