chempirical

6-Bromophthalazin-1(2H)-one

C8H5BrN2OCAS 75884-70-7225.04 g/mol

Open in Covalent MOL file
BrNNHO
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
75884-70-7
SMILES
C1=CC2=C(C=C1Br)C=NNC2=O
InChIKey
QMONLZVJOOMKRW-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrN2O/c9-6-1-2-7-5(3-6)4-10-11-8(7)12/h1-4H,(H,11,12)

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Work with 6-Bromophthalazin-1(2H)-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-1H-indazole53857-57-156 % similar 6-Bromo-1(2H)-isoquinolinone82827-09-656 % similar 6-Bromoindazole79762-54-253 % similar 6-Bromo-1H-indazol-3-ol885521-92-646 % similar 4,5-Dibromopyridazin-3-one5788-58-944 % similar 2,7-Dibromophenanthrene62325-30-844 % similar 7-Bromo-1-hydroxyisoquinoline223671-15-644 % similar 7-Bromoisoquinoline58794-09-541 % 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-Bromo-2(1H)-quinazolinone79885-37-3 7-Bromo-1H-quinoxalin-2-one82031-32-1 6-Bromo-1H-indazole-3-carbaldehyde885271-72-7

Elsewhere

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