chempirical

6-Bromo-5-methoxy-1H-indazole

C8H7BrN2OCAS 1206800-17-0227.06 g/mol

Open in Covalent MOL file
ONNHBr
Aryl halideEther

Properties

Molecular formula
C8H7BrN2O
Molar mass
227.06 g/mol
Exact mass
225.9742 Da
logP
2.33Crippen estimate
Polar surface area
37.9 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
1

Identifiers

CAS number
1206800-17-0
SMILES
COC1=C(C=C2C(=C1)C=NN2)Br
InChIKey
USRTZJDWQCNIEN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2O/c1-12-8-2-5-4-10-11-7(5)3-6(8)9/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 6-Bromo-5-methoxy-1H-indazole

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

6-Bromo-5-methyl (1H)indazole1000343-69-058 % similar 6-Bromo-5-fluoro-1H-indazole1286734-85-754 % similar 5-Bromo-6-fluoro-1H-indazole105391-70-650 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-543 % similar 1-Bromo-2,5-dimethoxybenzene25245-34-543 % similar 1,2-Dibromo-4,5-dimethoxybenzene37895-73-142 % similar 6-Bromo-1H-pyrazolo[4,3-c]pyridine1206973-12-742 % similar 5-Bromo-1H-pyrazolo[3,4-C]pyridine929617-35-642 % similar

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

Elsewhere

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