4-Chloroisatin

C₈H₄ClNO₂CAS 6344-05-4181.57 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₈H₄ClNO₂
Molar mass: 181.57 g/mol
Exact mass: 180.9931 Da
logP: 1.47Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

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

6344-05-4

SMILES

C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2

InChIKey

HSYFISNDMZKGRS-UHFFFAOYSA-N

InChI

InChI=1S/C8H4ClNO2/c9-4-2-1-3-5-6(4)7(11)8(12)10-5/h1-3H,(H,10,11,12)

Weigh it out

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Work with 4-Chloroisatin

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

4,6-Dichloro-1H-indole-2,3-dione18711-15-465 % similar 4-Bromoisatin20780-72-764 % similar 4-Fluoro-1H-indole-2,3-dione346-34-962 % similar 4,7-Dichloroisatin18711-13-261 % similar Isatin91-56-553 % similar 4-Bromo-5-methyl-2,3-indolinedione147149-84-645 % similar 5,7-Dichloroisatin6374-92-144 % similar 1,2-Bis(2-chlorophenyl)-1,2-ethanedione21854-95-542 % similar

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

Same formula

2-Chloro-4-cyanobenzoic acid117738-77-9 5-Chloroisatin17630-76-1 N-Chlorophthalimide3481-09-2 6-Chloroisatin6341-92-0 4-Chloro-phthalimide7147-90-2 7-Chloroisatin7477-63-6

Elsewhere

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