chempirical

7-Bromo-1H-quinoxalin-2-one

C8H5BrN2OCAS 82031-32-1225.04 g/mol

Open in Covalent MOL file
BrNHON
Aryl halide

Properties

Molecular formula
C8H5BrN2O
Molar mass
225.04 g/mol
Exact mass
223.9585 Da
logP
1.69Crippen estimate
Polar surface area
45.8 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
82031-32-1
SMILES
C1=CC2=C(C=C1Br)NC(=O)C=N2
InChIKey
PXVQWJPOMIRXQL-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,(H,11,12)

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Names and synonyms

1 names
  • 7-Bromoquinoxalin-2(1H)-one

Work with 7-Bromo-1H-quinoxalin-2-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

2(1H)-Quinoxalinone1196-57-256 % similar 6-Bromo-1H-benzimidazole4887-88-151 % similar 6-Bromoquinolin-2(1H)-one1810-66-850 % similar 6-Chloro-2(1H)-quinoxalinone2427-71-649 % similar 5-Bromo-1H-benzimidazole-2-amine791595-74-947 % similar 6-Bromo-2-phenyl-1H-benzimidazole1741-50-046 % similar 6-Bromo-1H-pyrrolo[3,2-b]pyridine944937-53-546 % similar 6-Bromo-2-quinazolinamine190273-89-345 % similar

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

Same formula

4-Bromo-1H-pyrrolo[2,3-b]pyridine-3-carboxaldehyde1000340-35-1 7-Bromo-1H-quinazolin-4-one194851-16-6 6-Bromoquinazolin-4-ol32084-59-6 6-Bromo-2(1H)-quinoxalinone55687-34-8 5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-0 6-Bromophthalazin-1(2H)-one75884-70-7 6-Bromo-2(1H)-quinazolinone79885-37-3 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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