1-Acetyl-5-bromo-7-nitroindoline

C₁₀H₉BrN₂O₃CAS 62368-07-4285.10 g/mol

Open in Covalent MOL file

Amide Aryl halide Nitro

Properties

Molecular formula: C₁₀H₉BrN₂O₃
Molar mass: 285.10 g/mol
Exact mass: 283.9797 Da
logP: 2.27Crippen estimate
Polar surface area: 63.5 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 1

Hazards

Warning

H319 Causes serious eye irritation90.5% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264+P265, P280, P305+P351+P338, P337+P317

Identifiers

CAS number

62368-07-4

SMILES

CC(=O)N1CCC2=C1C(=CC(=C2)Br)[N+](=O)[O-]

InChIKey

RCELVCGNAKOBPO-UHFFFAOYSA-N

InChI

InChI=1S/C10H9BrN2O3/c1-6(14)12-3-2-7-4-8(11)5-9(10(7)12)13(15)16/h4-5H,2-3H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 1-Acetyl-5-bromo-7-nitroindoline

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-Acetyl-5-nitroindoline33632-27-853 % similar 1-Acetyl-5-bromoindoline22190-38-151 % similar 5-Bromo-2-methyl-1,3-dinitrobenzene95192-64-647 % similar 5-Bromo-7-nitroindoline80166-90-145 % similar 5-Bromo-2-methyl-3-nitrobenzoic acid107650-20-443 % similar 5'-Bromo-2'-hydroxy-3'-nitroacetophenone70978-54-043 % similar 4-Bromo-2-nitrobenzyl bromide82420-34-642 % similar 4-Bromo-2-nitrobenzyl alcohol22996-19-641 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook