1-Methyl-4-nitro-1H-indazole

C₈H₇N₃O₂CAS 26120-43-4177.16 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₈H₇N₃O₂
Molar mass: 177.16 g/mol
Exact mass: 177.0538 Da
logP: 1.48Crippen estimate
Polar surface area: 61.0 Å²
H-bond donors / acceptors: 0 / 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

26120-43-4

SMILES

CN1C2=C(C=N1)C(=CC=C2)[N+](=O)[O-]

InChIKey

FGSQGIYFGWQTRE-UHFFFAOYSA-N

InChI

InChI=1S/C8H7N3O2/c1-10-7-3-2-4-8(11(12)13)6(7)5-9-10/h2-5H,1H3

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Work with 1-Methyl-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

1,5-Dinitronaphthalene605-71-051 % similar B-(1-Methyl-1H-indazol-4-yl)boronic acid1001907-60-347 % similar 5-Nitroisoquinoline607-32-947 % similar 1-Nitronaphthalene86-57-746 % similar 1,8-Dinitronaphthalene602-38-045 % similar 2,6-Dinitrotoluene606-20-245 % similar 5-Nitroquinoline607-34-144 % similar 1-Bromo-5-nitronaphthalene5328-76-744 % similar

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

Same formula

Methyl 1,2,3-benzotriazole-5-carboxylate113053-50-2 4-Phenyl-1,2,4-triazolidine-3,5-dione15988-11-1 4-Aminophthalhydrazide3682-14-2 3-Methyl-5-nitro-1H-indazole40621-84-9 Benzotriazol-1-yl-acetic acid4144-64-3 Luminol521-31-3 1-Methyl-5-nitroindazole5228-49-9 3-Methyl-6-nitro-1H-indazole6494-19-5

Elsewhere

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