6-Bromo-3,4-dihydro-2H-isoquinolin-1-one
Properties
- Molecular formula
- C9H8BrNO
- Molar mass
- 226.07 g/mol
- Exact mass
- 224.9789 Da
- logP
- 1.74Crippen estimate
- Polar surface area
- 29.1 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 0
Hazards
Warning
- H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled25% of notifiers
- H302 Harmful if swallowed50% of notifiers
- H315 Causes skin irritation75% of notifiers
- H319 Causes serious eye irritation75% of notifiers
- H335 May cause respiratory irritation75% of notifiers
Aggregated from 4 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
147497-32-3SMILES
C1CNC(=O)C2=C1C=C(C=C2)BrInChIKey
FQPKKECSRKYXIZ-UHFFFAOYSA-NInChI
InChI=1S/C9H8BrNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-2,5H,3-4H2,(H,11,12)Weigh it out
Type any one amount. The others follow from the molar mass.
Work with 6-Bromo-3,4-dihydro-2H-isoquinolin-1-one
Similar compounds
5-Bromo-2,3-dihydro-isoindol-1-one552330-86-671 % similar
6-Bromo-2,3-dihydro-1H-isoindol-1-one675109-26-957 % similar
6-Bromo-1-tetralone66361-67-955 % similar
5-Bromo-1-indanone34598-49-754 % similar
4-Bromophthalimide6941-75-950 % similar
7-Methoxy-3,4-dihydro-2H-isoquinolin-1-one22246-04-448 % similar
5-Bromoindoline22190-33-646 % similar
5-Bromophthalide64169-34-245 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.