6-Bromo-1(2H)-isoquinolinone

C₉H₆BrNOCAS 82827-09-6224.06 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₆BrNO
Molar mass: 224.06 g/mol
Exact mass: 222.9633 Da
logP: 2.29Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Identifiers

CAS number

82827-09-6

SMILES

O=c1[nH]ccc2cc(Br)ccc12

InChIKey

ZDYXSEQHOVSTPA-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)

Weigh it out

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

Names and synonyms

4 names

1(2H)-Isoquinolinone, 6-bromo-
6-Bromoisoquinolin-1-one
6-Bromo-2H-isoquinolin-1-one
6-Bromoisoquinolin-1-ol

Work with 6-Bromo-1(2H)-isoquinolinone

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-Bromoindole10075-50-053 % similar 6-Bromoindole52415-29-948 % similar (S)-(+)-6,6'-Dibromo-1,1'-bi-2-naphthol13185-00-741 % similar 1,6-Dibromo-2-naphthalenol16239-18-239 % similar 2,6-Dibromoanthracene186517-01-139 % similar 6-Bromo-1-isoquinolinamine215453-26-238 % similar 2-Bromocarbazole3652-90-234 % similar 5-Bromo-2-methylindole1075-34-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-Bromo-8-hydroxyquinoline1198-14-7 6-Bromo-4-hydroxyquinoline145369-94-4 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 7-Bromo-4-hydroxyquinoline82121-06-0 5-Bromoindole-3-carboxaldehyde877-03-2

Elsewhere

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