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

C₈H₆BrNOCAS 200049-46-3212.05 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

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

7-Bromo-2,3-dihydro-1H-inden-1-one125114-77-447 % similar 2-Bromophenylacetic acid18698-97-037 % similar 8-Bromo-1,2,3,4-tetrahydroisoquinoline75416-51-237 % similar 4-Bromoisoindoline hydrochloride923590-95-837 % similar Methyl 2-bromo-6-chlorobenzoate685892-23-333 % similar 4-Bromo-1-indanone15115-60-333 % similar 2-Bromobenzyl bromide3433-80-532 % similar 7-Bromoisatin20780-74-932 % 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 3-Bromomethylbenzisoxazole37924-85-9

Elsewhere

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