4-Chloroisatin
Properties
- Molecular formula
- C8H4ClNO2
- Molar mass
- 181.57 g/mol
- Exact mass
- 180.9931 Da
- logP
- 1.47Crippen estimate
- Polar surface area
- 46.2 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H301 Toxic if swallowed50% of notifiers
- H315 Causes skin irritation50% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation50% of notifiers
Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
6344-05-4SMILES
C1=CC2=C(C(=C1)Cl)C(=O)C(=O)N2InChIKey
HSYFISNDMZKGRS-UHFFFAOYSA-NInChI
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
Type any one amount. The others follow from the molar mass.
Work with 4-Chloroisatin
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.