6-Bromoindole-3-carbaldehyde

C₉H₆BrNOCAS 17826-04-9224.06 g/mol

Open in Covalent MOL file

Aldehyde Aryl halide

Properties

Molecular formula: C₉H₆BrNO
Molar mass: 224.06 g/mol
Exact mass: 222.9633 Da
logP: 2.74Crippen estimate
Polar surface area: 32.9 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

17826-04-9

SMILES

C1=CC2=C(C=C1Br)NC=C2C=O

InChIKey

WCCLQCBKBPTODV-UHFFFAOYSA-N

InChI

InChI=1S/C9H6BrNO/c10-7-1-2-8-6(5-12)4-11-9(8)3-7/h1-5,11H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

6-Bromoindole-3-carboxaldehyde

Work with 6-Bromoindole-3-carbaldehyde

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

5-Bromoindole-3-carboxaldehyde877-03-276 % similar 6-Fluoroindole-3-carboxaldehyde2795-41-761 % similar 6-Methylindole-3-carboxaldehyde4771-49-761 % similar 6-Chloroindole-3-carboxaldehyde703-82-261 % similar 6-Methoxy-1H-indole-3-carbaldehyde70555-46-356 % similar 3-Formyl-1H-indole-6-carbonitrile83783-33-956 % similar Indole-3-carbaldehyde487-89-856 % similar Methyl 3-formyl-1H-indole-6-carboxylate133831-28-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

5-Bromo-8-hydroxyquinoline1198-14-7 6-Bromo-4-hydroxyquinoline145369-94-4 6-Bromoquinolin-2(1H)-one1810-66-8 5-Bromo-1(2H)-isoquinolinone190777-77-6 4-Cyanophenacyl bromide20099-89-2 7-Bromo-1-hydroxyisoquinoline223671-15-6 4-Bromobenzoylacetonitrile4592-94-3 3-(2-Bromoacetyl)benzonitrile50916-55-7

Elsewhere

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