7-Bromo-4-fluoro-1H-indole

C8H5BrFNCAS 292636-09-0214.04 g/mol

Open in Covalent MOL file
FNHBr
Aryl halide

Properties

Molecular formula
C8H5BrFN
Molar mass
214.04 g/mol
Exact mass
212.9589 Da
logP
3.07Crippen estimate
Polar surface area
15.8 Ų
H-bond donors / acceptors
1 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
292636-09-0
SMILES
C1=CC(=C2C(=C1F)C=CN2)Br
InChIKey
PRXUTIXCOBFMMM-UHFFFAOYSA-N
InChI
InChI=1S/C8H5BrFN/c9-6-1-2-7(10)5-3-4-11-8(5)6/h1-4,11H

Weigh it out

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

Names and synonyms

1 names
  • 7-Bromo-4-fluoroindole

Work with 7-Bromo-4-fluoro-1H-indole

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

1-Bromo 4-fluoronaphthalene341-41-348 % similar 7-Bromoindole51417-51-744 % similar 4-Fluoroindole387-43-942 % similar 1-Bromo-2,3,4-trifluorobenzene176317-02-542 % similar 4,5-Difluoro-1H-indole247564-63-241 % similar 4,5,6,7-Tetrafluoroindole16264-67-841 % similar 8-Bromo-5-fluoroquinoline917251-99-141 % similar 4-Bromoindole52488-36-539 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Fluoro-4-cyanobenzyl bromide105942-09-4 2-(4-Bromo-2-fluorophenyl)acetonitrile114897-91-5 2-Cyano-5-fluorobenzyl bromide421552-12-7 3-Fluoro-4-bromoobenzyl cyanide499983-13-0 2-(3-Bromo-4-fluorophenyl)acetonitrile501420-63-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook