7-Bromo-2,3-dihydro-isoindol-1-one

C8H6BrNOCAS 200049-46-3212.05 g/mol

Open in Covalent MOL file
BrONH
AmideAryl halideLactam

Properties

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

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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

Identifiers

CAS number
200049-46-3
SMILES
C1C2=C(C(=CC=C2)Br)C(=O)N1
InChIKey
XTWPGJGLJLJZHW-UHFFFAOYSA-N
InChI
InChI=1S/C8H6BrNO/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4H2,(H,10,11)

Weigh it out

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

Names and synonyms

1 names
  • 7-Bromo-2,3-dihydro-1H-isoindol-1-one

Work with 7-Bromo-2,3-dihydro-isoindol-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

8-Bromo-3,4-dihydro-2H-naphthalen-1-one651735-60-349 % similar 7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-447 % similar 6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-945 % similar 2,6-Dibromobenzoic acid601-84-341 % similar 4-Bromo-2-indanone846032-36-841 % similar 3-Bromo-5H-pyrrolo[3,4-b]pyridin-7(6H)-one1346809-61-740 % similar 4-Bromoisatin20780-72-738 % 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 5-Bromo-2-oxindole20870-78-4 4-Bromoisoindolin-1-one337536-15-9 3-Bromomethylbenzisoxazole37924-85-9 5-Bromo-2,3-dihydro-isoindol-1-one552330-86-6

Elsewhere

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