chempirical

5-Chloroisatin

C8H4ClNO2CAS 17630-76-1181.57 g/mol

Open in Covalent MOL file
OHNClO
AmideAryl halideKetoneLactam

Properties

Molecular formula
C8H4ClNO2
Molar mass
181.57 g/mol
Exact mass
180.9931 Da
Melting point
207 °C
logP
1.47Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Identifiers

CAS number
17630-76-1
SMILES
O=C1Nc2ccc(Cl)cc2C1=O
InChIKey
XHDJYQWGFIBCEP-UHFFFAOYSA-N
InChI
InChI=1S/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12)

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-2,3-dione, 5-chloro-
  • Indole-2,3-dione, 5-chloro-
  • Isatin, 5-chloro-
  • 5-Chloro-1H-indole-2,3-dione
  • 5-Chloro-2,3-indoledione
  • 5-Chloro-2,3-indolinedione
  • NSC 135811

Work with 5-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

5-Iodoisatin20780-76-160 % similar 5-Methylisatin608-05-960 % similar 5-Bromoisatin87-48-960 % similar 5-Methoxyisatin39755-95-855 % similar 5,7-Dichloroisatin6374-92-154 % similar 5-Nitroisatin611-09-653 % similar 4,6-Dichloro-1H-indole-2,3-dione18711-15-450 % similar 5-Chlorooxindole17630-75-044 % similar

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

Same formula

2-Chloro-4-cyanobenzoic acid117738-77-9 N-Chlorophthalimide3481-09-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook