5-Bromoindoline

C₈H₈BrNCAS 22190-33-6198.06 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₈H₈BrN
Molar mass: 198.06 g/mol
Exact mass: 196.9840 Da
logP: 2.42Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed12.8% of notifiers
H312 Harmful in contact with skin10.6% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation97.9% of notifiers
H335 May cause respiratory irritation87.2% of notifiers

Aggregated from 47 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

22190-33-6

SMILES

C1CNC2=C1C=C(C=C2)Br

InChIKey

QEDCHCLHHGGYBT-UHFFFAOYSA-N

InChI

InChI=1S/C8H8BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-2,5,10H,3-4H2

Weigh it out

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

Work with 5-Bromoindoline

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

6-Bromo-1,2,3,4-tetrahydroquinoline22190-35-881 % similar 5-Methylindoline65826-95-160 % similar 7-Bromo-1,2,3,4-tetrahydroquinoline114744-51-358 % similar 5-Fluoroindoline2343-22-855 % similar 5-Chloroindoline25658-80-455 % similar 7-Bromo-1,2,3,4-tetrahydroisoquinoline17680-55-653 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline226942-29-653 % similar 7-Bromo-3,4-dihydro-2H-1,4-benzoxazine105679-22-952 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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