2-Iodo-5-nitroanisole

C₇H₆INO₃CAS 5458-84-4279.03 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 swallowed97.6% of notifiers
H317 May cause an allergic skin reaction97.6% of notifiers

Aggregated from 41 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, P501

Identifiers

CAS number

5458-84-4

SMILES

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

InChIKey

RBFWMPRFYROKPI-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

1 names

1-Iodo-2-methoxy-4-nitrobenzene

Work with 2-Iodo-5-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

1,2-Dimethoxy-4-nitrobenzene709-09-171 % similar 2-Methoxy-1-methyl-4-nitrobenzene13120-77-969 % similar 1-Methoxy-2-methyl-4-nitrobenzene50741-92-965 % similar 2-Methoxy-4-nitroaniline97-52-965 % similar 1-Chloro-2-methoxy-4-nitrobenzene1009-36-563 % similar 2-Methoxy-4-nitrophenol3251-56-763 % similar 1-Bromo-2-methoxy-4-nitrobenzene77337-82-763 % similar 2,4-Dinitroanisole119-27-762 % 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 4-Iodo-3-nitroanisole58755-70-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook