5-Bromo-1H-indole-3-carboxylic acid
Properties
- Molecular formula
- C9H6BrNO2
- Molar mass
- 240.06 g/mol
- Exact mass
- 238.9582 Da
- Melting point
- 238–240 °C (decomposes)
- logP
- 2.63Crippen estimate
- Polar surface area
- 53.1 Ų
- H-bond donors / acceptors
- 2 / 1
- Rotatable bonds
- 1
Hazards
Warning
- H315 Causes skin irritation100% 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501
Identifiers
CAS number
10406-06-1SMILES
O=C(O)c1c[nH]c2ccc(Br)cc12InChIKey
JVZMBSGNSAHFCY-UHFFFAOYSA-NInChI
InChI=1S/C9H6BrNO2/c10-5-1-2-8-6(3-5)7(4-11-8)9(12)13/h1-4,11H,(H,12,13)Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1H-Indole-3-carboxylic acid, 5-bromo-
- Indole-3-carboxylic acid, 5-bromo-
- 5-Bromoindole-3-carboxylic acid
Work with 5-Bromo-1H-indole-3-carboxylic acid
Similar compounds
6-Bromo-4-hydroxyquinoline-3-carboxylic acid98948-95-978 % similar
5-Chloroindole-3-carboxylic acid10406-05-066 % similar
5-Fluoro-1H-indole-3-carboxylic acid23077-43-266 % similar
5-Methoxy-1H-indole-3-carboxylic acid10242-01-063 % similar
Indole-3-carboxylic acid771-50-661 % similar
5-Nitroindole-3-carboxylic acid6958-37-858 % similar
5-Bromo-1H-pyrrolo[2,3-B]pyridine-3-carboxylic acid849068-61-757 % similar
(5-Bromo-1H-indol-3-yl)acetic acid40432-84-657 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds