6-Bromoisoquinolin-1(2H)-one
Properties
- Molecular formula
- C9H6BrNO
- Molar mass
- 224.06 g/mol
- Exact mass
- 222.9633 Da
- logP
- 2.29Crippen estimate
- Polar surface area
- 32.9 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Danger
- H302 Harmful if swallowed100% of notifiers
- H315 Causes skin irritation100% of notifiers
- H318 Causes serious eye damage66.7% of notifiers
- H319 Causes serious eye irritation33.3% of notifiers
- H335 May cause respiratory irritation100% of notifiers
Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
82827-09-6SMILES
O=c1[nH]ccc2cc(Br)ccc12InChIKey
ZDYXSEQHOVSTPA-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
5 names
- 6-Bromo-1(2H)-isoquinolinone
- 1(2H)-Isoquinolinone, 6-bromo-
- 6-Bromoisoquinolin-1-one
- 6-Bromo-2H-isoquinolin-1-one
- 6-Bromoisoquinolin-1-ol
Work with 6-Bromoisoquinolin-1(2H)-one
Similar compounds
6-Bromophthalazin-1(2H)-one75884-70-756 % similar
5-Bromoindole10075-50-053 % similar
2,7-Dibromophenanthrene62325-30-852 % similar
7-Bromo-1H-quinazolin-4-one194851-16-651 % similar
7-Bromoquinolin-4-ol82121-06-050 % similar
6-Bromo-1H-indazol-3-ol885521-92-649 % similar
6-Bromoindole52415-29-948 % similar
6-Bromoquinazolin-4-ol32084-59-647 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds