chempirical

4-Chloro-5-nitrophthalimide

C8H3ClN2O4CAS 6015-57-2226.57 g/mol

Open in Covalent MOL file
N+OO−ClONHO
AmideAryl halideLactamNitro

Properties

Molecular formula
C8H3ClN2O4
Molar mass
226.57 g/mol
Exact mass
225.9781 Da
logP
1.13Crippen estimate
Polar surface area
89.3 Ų
H-bond donors / acceptors
1 / 4
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
6015-57-2
SMILES
C1=C2C(=CC(=C1[N+](=O)[O-])Cl)C(=O)NC2=O
InChIKey
ADLVDYMTBOSDFE-UHFFFAOYSA-N
InChI
InChI=1S/C8H3ClN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13)

Weigh it out

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

Work with 4-Chloro-5-nitrophthalimide

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

1,3-Dichloro-4,6-dinitrobenzene3698-83-758 % similar 2,4,5-Trichloronitrobenzene89-69-056 % similar 4-Chloro-2-fluoro-5-nitrobenzoic acid35112-05-152 % similar 1-(4-Chloro-3-nitrophenyl)ethanone5465-65-650 % similar 2,4-Dichloro-5-nitrophenol39489-77-549 % similar 5-Chloro-2,4-dinitrotoluene51676-74-549 % similar 2,5-Dichloro-4-nitrobenzenamine6627-34-549 % similar 4-Chloro-3-nitrobenzoyl chloride38818-50-748 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook