chempirical

6-Bromo-3,4-dihydro-2H-isoquinolin-1-one

C9H8BrNOCAS 147497-32-3226.07 g/mol

Open in Covalent MOL file
NHOBr
AmideAryl halideLactam

Properties

Molecular formula
C9H8BrNO
Molar mass
226.07 g/mol
Exact mass
224.9789 Da
logP
1.74Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
147497-32-3
SMILES
C1CNC(=O)C2=C1C=C(C=C2)Br
InChIKey
FQPKKECSRKYXIZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)

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Work with 6-Bromo-3,4-dihydro-2H-isoquinolin-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

5-Bromo-1-indanone34598-49-754 % similar 5-Bromophthalide64169-34-245 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-645 % similar 5-Bromo-2-oxindole20870-78-441 % similar 6-Bromo-2-tetralone4133-35-141 % similar 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-841 % similar 3,6-Dibromo-9,10-phenanthrenedione53348-05-341 % similar Methyl 4-bromo-2-(bromomethyl)benzoate78471-43-940 % similar

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

Same formula

6-Bromo-4-methoxy-1H-indole393553-57-6

Elsewhere

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