3-Bromo-5-nitro-1H-indazole

C₇H₄BrN₃O₂CAS 67400-25-3242.03 g/mol

Open in Covalent MOL file

Aryl halide Nitro

Properties

Molecular formula: C₇H₄BrN₃O₂
Molar mass: 242.03 g/mol
Exact mass: 240.9487 Da
logP: 2.23Crippen estimate
Polar surface area: 71.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

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

67400-25-3

SMILES

C1=CC2=NNC(=C2C=C1[N+](=O)[O-])Br

InChIKey

SYTGRKBQTUKOAI-UHFFFAOYSA-N

InChI

InChI=1S/C7H4BrN3O2/c8-7-5-3-4(11(12)13)1-2-6(5)9-10-7/h1-3H,(H,9,10)

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Names and synonyms

1 names

5-Nitro-3-bromoindazole

Work with 3-Bromo-5-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

3-Methyl-5-nitro-1H-indazole40621-84-965 % similar 3-Methyl-6-nitro-1H-indazole6494-19-553 % similar 3-Iodo-6-nitroindazole70315-70-753 % similar 5-Nitrobenzotriazole2338-12-750 % similar 3-Amino-5-nitroindazole41339-17-750 % similar 3-Iodo-5-nitro-1H-indazole70315-69-450 % similar 3-Amino-5-nitro-2,1-benzisothiazole14346-19-147 % similar 4-Chloro-6-nitroquinazoline19815-16-847 % 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-6-nitroindazole70315-68-3 3-Bromo-7-nitroindazole74209-34-0

Elsewhere

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