6-Bromo-4-nitro-1H-indazole

C7H4BrN3O2CAS 885518-46-7242.03 g/mol

Open in Covalent MOL file
HNNN+OO−Br
Aryl halideNitro

Properties

Molecular formula
C7H4BrN3O2
Molar mass
242.03 g/mol
Exact mass
240.9487 Da
logP
2.23Crippen estimate
Polar surface area
71.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
885518-46-7
SMILES
C1=C(C=C(C2=C1NN=C2)[N+](=O)[O-])Br
InChIKey
AHEMYGJJCOXPSP-UHFFFAOYSA-N
InChI
InChI=1S/C7H4BrN3O2/c8-4-1-6-5(3-9-10-6)7(2-4)11(12)13/h1-3H,(H,9,10)

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Work with 6-Bromo-4-nitro-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-Chloro-4-nitro-1H-indazole885519-50-665 % similar 6-Bromo-4-iodo-1H-indazole885519-41-554 % similar 4-Amino-6-bromo (1H)indazole885518-50-350 % similar 6-Bromo-4-fluoro-1H-indazole885520-23-050 % similar 2,5-Dibromo-3-nitropyridine15862-37-049 % similar 5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-649 % similar 5-Methyl-6-nitro-1H-indazole72521-00-747 % similar 5-Bromo-3-nitro-2-pyridone15862-34-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Amino-3-bromo-5-nitrobenzonitrile17601-94-4 3-Bromo-5-nitro-1H-indazole67400-25-3 3-Bromo-6-nitroindazole70315-68-3 3-Bromo-7-nitroindazole74209-34-0

Elsewhere

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