5-Bromo-1(2H)-isoquinolinone
Properties
- Molecular formula
- C9H6BrNO
- Molar mass
- 224.06 g/mol
- Exact mass
- 222.9633 Da
- logP
- 2.70Crippen estimate
- Polar surface area
- 33.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Warning
- H315 Causes skin irritation100% of notifiers
- H319 Causes serious eye irritation100% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
190777-77-6SMILES
Oc1nccc2c(Br)cccc12InChIKey
UKIWLFJYNMJPEG-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrNO/c10-8-3-1-2-7-6(8)4-5-11-9(7)12/h1-5H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 1(2H)-Isoquinolinone, 5-bromo-
- 5-Bromo-1-hydroxyisoquinoline
- 5-Bromoisoquinolin-1(2H)-one
- 5-Bromo-1,2-dihydroisoquinolin-1-one
Work with 5-Bromo-1(2H)-isoquinolinone
Similar compounds
1,5-Isoquinolinediol5154-02-963 % similar
5-Bromo-1-chloroisoquinoline34551-41-258 % similar
3-Bromo-2(1H)-pyridinone13466-43-855 % similar
1(2H)-Isoquinolinone491-30-553 % similar
1,5-Dibromonaphthalene7351-74-852 % similar
5-Bromo-1,7-naphthyridin-8(7H)-one67967-14-047 % similar
4-Bromoquinoline3964-04-347 % similar
5-Bromoquinoline4964-71-047 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.