chempirical

8-Bromo-2-chloroquinoline

C9H5BrClNCAS 163485-86-7242.50 g/mol

Open in Covalent MOL file
BrNCl
Aryl halide

Properties

Molecular formula
C9H5BrClN
Molar mass
242.50 g/mol
Exact mass
240.9294 Da
logP
3.65Crippen estimate
Polar surface area
12.9 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
0

Identifiers

CAS number
163485-86-7
SMILES
C1=CC2=C(C(=C1)Br)N=C(C=C2)Cl
InChIKey
ZXSUGMMMZOMZTD-UHFFFAOYSA-N
InChI
InChI=1S/C9H5BrClN/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H

Weigh it out

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

Work with 8-Bromo-2-chloroquinoline

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

2,9-Dichloro-1,10-phenanthroline29176-55-464 % similar 2-Chloro-1,10-phenanthroline7089-68-158 % similar 8-Bromo-2-chloroquinazoline956100-63-353 % similar 8-Bromoquinoline16567-18-350 % similar 2-Chloroquinoline612-62-450 % similar 3-Bromo-6-chloro-2-methylpyridine132606-40-747 % similar 2-Bromo-6-chloropyridine5140-72-743 % similar 7-Bromo-1H-indazole53857-58-242 % similar

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

Same formula

6-Bromo-2-chloroquinoline1810-71-5 4-Bromo-1-chloroisoquinoline66728-98-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook