chempirical

1-Acetyl-5-bromo-7-nitroindoline

C10H9BrN2O3CAS 62368-07-4285.10 g/mol

Open in Covalent MOL file
ONBrN+OO−
AmideAryl halideNitro

Properties

Molecular formula
C10H9BrN2O3
Molar mass
285.10 g/mol
Exact mass
283.9797 Da
logP
2.27Crippen estimate
Polar surface area
63.5 Ų
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
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

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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-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 4-Bromo-2-fluoro-6-nitrotoluene502496-34-641 % similar

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

Elsewhere

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