chempirical

5-Bromoindoline

C8H8BrNCAS 22190-33-6198.06 g/mol

Open in Covalent MOL file
HNBr
Aryl halideSecondary 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 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

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 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 3-Bromobicyclo[4.2.0]octa-1,3,5-triene1073-39-850 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook