2-(tert-Butyl)-5-nitro-1H-indole

C₁₂H₁₄N₂O₂CAS 174274-85-2218.26 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₂H₁₄N₂O₂
Molar mass: 218.26 g/mol
Exact mass: 218.1055 Da
logP: 3.37Crippen estimate
Polar surface area: 58.9 Å²
H-bond donors / acceptors: 1 / 2
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

174274-85-2

SMILES

CC(C)(C)C1=CC2=C(N1)C=CC(=C2)[N+](=O)[O-]

InChIKey

KWEGNNIENUBTCE-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N2O2/c1-12(2,3)11-7-8-6-9(14(15)16)4-5-10(8)13-11/h4-7,13H,1-3H3

Weigh it out

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Names and synonyms

1 names

2-tert-Butyl-5-nitro-1H-indole

Work with 2-(tert-Butyl)-5-nitro-1H-indole

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

2-Methyl-5-nitroindole7570-47-067 % similar 5-Nitroindole-2-carboxylic acid16730-20-452 % similar 5-Nitroindole6146-52-751 % similar Ethyl 5-nitroindole-2-carboxylate16732-57-349 % similar 5-Nitroindazole5401-94-549 % similar 2-(1,1-Dimethylethyl)-1H-indole1805-65-849 % similar 2-Amino-5-nitrobenzimidazole6232-92-448 % similar 2,3-Dimethyl-5-nitro-1H-indole21296-94-646 % similar

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

Same formula

1-Methyl-D-tryptophan110117-83-4 N-Acetylserotonin1210-83-9 Primidone125-33-7 7-Methyl-2-propyl-1H-benzimidazole-5-carboxylic acid152628-03-0 Alpha-methyl-L-tryptophan16709-25-4 1-Methyl-L-tryptophan21339-55-9 6-Methyl-DL-tryptophan2280-85-5 (±)-Mephenytoin50-12-4

Elsewhere

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