4-Bromoisoindolin-1-one

C₈H₆BrNOCAS 337536-15-9212.05 g/mol

Open in Covalent MOL file

Amide Aryl halide Lactam

Properties

Molecular formula: C₈H₆BrNO
Molar mass: 212.05 g/mol
Exact mass: 210.9633 Da
logP: 1.69Crippen estimate
Polar surface area: 29.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 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

337536-15-9

SMILES

C1C2=C(C=CC=C2Br)C(=O)N1

InChIKey

TYRICULVJRGSTL-UHFFFAOYSA-N

InChI

InChI=1S/C8H6BrNO/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4H2,(H,10,11)

Weigh it out

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

Work with 4-Bromoisoindolin-1-one

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-Bromo-1-indanone15115-60-347 % similar 6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-945 % similar 5-Bromo-1-tetralone68449-30-945 % similar 4-Bromooxindole99365-48-742 % similar 4-Bromo-2-indanone846032-36-841 % similar Methyl 3-bromo-2-(bromomethyl)benzoate337536-14-840 % similar 7-Bromoisatin20780-74-938 % similar 5-Aminoisoindolin-1-one222036-66-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Bromo-4-methoxybenzonitrile117572-79-9 2-Bromo-5-methoxybenzonitrile138642-47-4 5-Bromo-2-methoxybenzonitrile144649-99-0 4-Bromo-2-methylphenyl isocyanate1591-98-6 7-Bromo-2,3-dihydro-isoindol-1-one200049-46-3 5-Bromo-2-oxindole20870-78-4 3-Bromomethylbenzisoxazole37924-85-9 5-Bromo-2,3-dihydro-isoindol-1-one552330-86-6

Elsewhere

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