chempirical

7-Bromoquinoline

C9H6BrNCAS 4965-36-0208.06 g/mol

Open in Covalent MOL file
BrN
Aryl halide

Properties

Molecular formula
C9H6BrN
Molar mass
208.06 g/mol
Exact mass
206.9684 Da
Melting point
34 °C
Boiling point
290 °C
logP
3.00Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
4965-36-0
SMILES
Brc1ccc2cccnc2c1
InChIKey
XYBSZCUHOLWQQU-UHFFFAOYSA-N
InChI
InChI=1S/C9H6BrN/c10-8-4-3-7-2-1-5-11-9(7)6-8/h1-6H

Weigh it out

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

Names and synonyms

1 names
  • Quinoline, 7-bromo-

Work with 7-Bromoquinoline

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Hydroxyquinoline580-20-160 % similar 7-Aminoquinoline580-19-855 % similar 7-Methylquinoline612-60-255 % similar 7-Chloroquinoline612-61-355 % similar 7-(Trifluoromethyl)quinoline325-14-450 % similar 3-Bromo-1,10-phenanthroline66127-01-350 % similar Quinoline monohydrochloride530-64-347 % similar 7-Nitroquinoline613-51-446 % similar

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

Same formula

1-Bromoisoquinoline1532-71-4 4-Bromoisoquinoline1532-97-4 8-Bromoquinoline16567-18-3 6-Bromoisoquinoline34784-05-9 3-Bromoquinoline5332-24-1 6-Bromoquinoline5332-25-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook