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

C₈H₇BrN₂OCAS 1206800-17-0227.06 g/mol

Open in Covalent MOL file

Aryl halide Ether

Properties

Molecular formula: C₈H₇BrN₂O
Molar mass: 227.06 g/mol
Exact mass: 225.9742 Da
logP: 2.33Crippen estimate
Polar surface area: 37.9 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers

Aggregated from 39 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

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-methyl-1H-indazole885223-72-354 % similar 1,4-Dibromo-2,5-dimethoxybenzene2674-34-252 % similar 5-Bromo-6-fluoro-1H-indazole105391-70-650 % similar 6-Methoxy-1H-indazole3522-07-450 % similar 5-Methoxy-1H-indazole94444-96-950 % similar 1-Bromo-4,5-difluoro-2-methoxybenzene202865-58-543 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(Hydroxymethyl)-5-bromo-1H-benzoimidazole540516-28-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook