5-Iodo-1-indanone

C₉H₇IOCAS 511533-38-3258.06 g/mol

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Aryl halide Ketone

Properties

Molecular formula: C₉H₇IO
Molar mass: 258.06 g/mol
Exact mass: 257.9542 Da
logP: 2.42Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

511533-38-3

SMILES

C1CC(=O)C2=C1C=C(C=C2)I

InChIKey

XVDWDHAAIWZKRU-UHFFFAOYSA-N

InChI

InChI=1S/C9H7IO/c10-7-2-3-8-6(5-7)1-4-9(8)11/h2-3,5H,1,4H2

Weigh it out

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Names and synonyms

1 names

5-Iodoindan-1-one

Work with 5-Iodo-1-indanone

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

5-Bromo-1-indanone34598-49-759 % similar 5-Hydroxy-1-indanone3470-49-359 % similar 5-Amino-2,3-dihydro-1H-inden-1-one3470-54-059 % similar 5-Chloro-1-indanone42348-86-759 % similar 5-Methyl-1-indanone4593-38-859 % similar 5-Fluoro-1-indanone700-84-559 % similar 5-Methoxy-1-indanone5111-70-654 % similar 1-Indanone83-33-053 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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