5-Chloro-7-methylisatin

C₉H₆ClNO₂CAS 14389-06-1195.60 g/mol

Open in Covalent MOL file

Amide Aryl halide Ketone Lactam

Properties

Molecular formula: C₉H₆ClNO₂
Molar mass: 195.60 g/mol
Exact mass: 195.0087 Da
logP: 1.78Crippen estimate
Polar surface area: 46.2 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Identifiers

CAS number

14389-06-1

SMILES

CC1=CC(=CC2=C1NC(=O)C2=O)Cl

InChIKey

LDFQLYHDZZPAGN-UHFFFAOYSA-N

InChI

InChI=1S/C9H6ClNO2/c1-4-2-5(10)3-6-7(4)11-9(13)8(6)12/h2-3H,1H3,(H,11,12,13)

Weigh it out

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

Names and synonyms

1 names

5-Chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione

Work with 5-Chloro-7-methylisatin

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

5,7-Dimethylisatin39603-24-267 % similar 5,7-Dichloroisatin6374-92-167 % similar 7-Methylisatin1127-59-959 % similar 5-Chloroisatin17630-76-151 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-443 % similar Japan red 2262379-74-042 % similar 7-Bromoisatin20780-74-941 % similar 2-Amino-5-chloro-3-methylbenzoic acid20776-67-441 % similar

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

Same formula

5-Chloroindole-3-carboxylic acid10406-05-0 5-Chloro-1H-indole-2-carboxylic acid10517-21-2 6-Chloro-1H-indole-2-carboxylic acid16732-75-5 2-(Chloromethyl)-1H-isoindole-1,3(2H)-dione17564-64-6 7-Chloro-1H-indole-2-carboxylic acid28899-75-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook