chempirical

4-Bromo-2-methyl-2H-indazole

C8H7BrN2CAS 590417-93-9211.06 g/mol

Open in Covalent MOL file
NNBr
Aryl halide

Properties

Molecular formula
C8H7BrN2
Molar mass
211.06 g/mol
Exact mass
209.9793 Da
logP
2.34Crippen estimate
Polar surface area
17.8 Ų
H-bond donors / acceptors
0 / 1
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
590417-93-9
SMILES
CN1C=C2C(=N1)C=CC=C2Br
InChIKey
OFOZLGCQBJDWRJ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7BrN2/c1-11-5-6-7(9)3-2-4-8(6)10-11/h2-5H,1H3

Weigh it out

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

Work with 4-Bromo-2-methyl-2H-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

7-Bromo-2-methyl-2H-indazole701910-14-753 % similar 5-Bromo-2-methyl-2H-indazole465529-56-043 % similar 6-Bromo-2-methyl-2H-indazole590417-95-143 % similar 5-Bromoquinoline4964-71-041 % similar 4-Bromo-1-methyl-3-(trifluoromethyl)-1H-pyrazole497832-99-241 % similar 4-Bromo-3-(4-fluorophenyl)-1-methyl-1H-pyrazole863605-34-940 % similar 1,5-Dibromonaphthalene7351-74-839 % similar 4-Bromo-1-methyl-1H-pyrazole-3-carboxylic acid84547-86-438 % similar

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

Same formula

6-Bromo-5-methyl (1H)indazole1000343-69-0 7-Bromo-1-methyl-1H-indazole1000576-59-9 5-Bromo-4-methyl-1H-indazole1082041-34-6 5-Bromo-3-methyl-7-azaindole1111637-94-5 2-Methyl-5-bromo-7-azaindole1111638-02-8 7-Bromo-3-methyl-1H-indazole1159511-75-7 4-Bromo-1-methyl-1H-1,3-benzodiazole1353679-63-6 5-Bromo-7-methyl-1H-indazole156454-43-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook