5,7-Dichloroisatin

C8H3Cl2NO2CAS 6374-92-1216.02 g/mol

Open in Covalent MOL file
OHNClClO
AmideAryl halideKetoneLactam

Properties

Molecular formula
C8H3Cl2NO2
Molar mass
216.02 g/mol
Exact mass
214.9541 Da
Melting point
313 °C
logP
2.13Crippen estimate
Polar surface area
46.2 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Danger
Corrosive (GHS05)Irritant (GHS07)

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, P501

Identifiers

CAS number
6374-92-1
SMILES
O=C1Nc2c(Cl)cc(Cl)cc2C1=O
InChIKey
AYGGQJHJRFZDFH-UHFFFAOYSA-N
InChI
InChI=1S/C8H3Cl2NO2/c9-3-1-4-6(5(10)2-3)11-8(13)7(4)12/h1-2H,(H,11,12,13)

Weigh it out

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

Names and synonyms

5 names
  • 1H-Indole-2,3-dione, 5,7-dichloro-
  • Indole-2,3-dione, 5,7-dichloro-
  • Isatin, 5,7-dichloro-
  • 5,7-Dichloro-1H-indole-2,3-dione
  • NSC 26045

Work with 5,7-Dichloroisatin

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-Chloro-7-methylisatin14389-06-167 % similar 7-Chloroisatin7477-63-667 % similar 5-Chloroisatin17630-76-154 % similar 6-Chloroisatin6341-92-050 % similar 5,7-Dimethyl-2,3-dihydro-1H-indole-2,3-dione39603-24-245 % similar N-(2,4,6-Trichlorophenyl)thiourea31118-87-345 % similar 7-Bromoisatin20780-74-944 % similar 4-Chloroisatin6344-05-444 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4,7-Dichloroisatin18711-13-2 4,6-Dichloro-1H-indole-2,3-dione18711-15-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook