N-(2,4,6-Trichlorophenyl)maleimide

C10H4Cl3NO2CAS 13167-25-4276.50 g/mol

Open in Covalent MOL file
OONClClCl
AlkeneAmideAryl halideLactam

Properties

Molecular formula
C10H4Cl3NO2
Molar mass
276.50 g/mol
Exact mass
274.9308 Da
logP
3.08Crippen estimate
Polar surface area
37.4 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number
13167-25-4
SMILES
O=C1C=CC(=O)N1c1c(Cl)cc(Cl)cc1Cl
InChIKey
VHZJMAJCUAWIHV-UHFFFAOYSA-N
InChI
InChI=1S/C10H4Cl3NO2/c11-5-3-6(12)10(7(13)4-5)14-8(15)1-2-9(14)16/h1-4H

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Names and synonyms

6 names
  • 1H-Pyrrole-2,5-dione, 1-(2,4,6-trichlorophenyl)-
  • Maleimide, N-(2,4,6-trichlorophenyl)-
  • 1-(2,4,6-Trichlorophenyl)-1H-pyrrole-2,5-dione
  • IT 354
  • 2,4,6-Trichlorophenylmaleimide
  • 1-(2,4,6-Trichlorophenyl)pyrrole-2,5-dione

Work with N-(2,4,6-Trichlorophenyl)maleimide

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

N-(3,5-Dichlorophenyl)maleimide24096-52-463 % similar (o-Chlorophenyl)maleimide1203-24-353 % similar 1-(3-Chlorophenyl)-2,5-dihydro-1H-pyrrole-2,5-dione1204-35-953 % similar N,N′-1,3-Phenylenedimaleimide3006-93-750 % similar 1-(3-Chloro-4-methylphenyl)-2,5-dihydro-1H-pyrrole-2,5-dione52845-68-847 % similar 1,4-Phenylenebismaleimide3278-31-747 % similar N-Phenylmaleimide941-69-542 % similar 1-(2,6-Diethylphenyl)-1H-pyrrole-2,5-dione38167-72-542 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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