6-Chloroisatin

C₈H₄ClNO₂CAS 6341-92-0181.57 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

6341-92-0

SMILES

C1=CC2=C(C=C1Cl)NC(=O)C2=O

InChIKey

RVXLBLSGEPQBIO-UHFFFAOYSA-N

InChI

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

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Names and synonyms

1 names

6-Chloroindoline-2,3-dione

Work with 6-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

6-Bromoisatin6326-79-060 % similar 6-(Trifluoromethyl)-2,3-dihydro-1H-indole-2,3-dione343-69-157 % similar Isatin91-56-556 % similar 6-Methoxy-2,3-dioxyindole52351-75-455 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-454 % similar 5-Iodoisatin20780-76-151 % similar 5-Fluoroisatin443-69-651 % similar 5-Methylisatin608-05-951 % 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 4-Chloroisatin6344-05-4 4-Chloro-phthalimide7147-90-2 7-Chloroisatin7477-63-6

Elsewhere

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