chempirical

2-Chloroquinoline-3-boronic acid

C9H7BClNO2CAS 128676-84-6207.42 g/mol

Open in Covalent MOL file
BNClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C9H7BClNO2
Molar mass
207.42 g/mol
Exact mass
207.0258 Da
logP
0.57Crippen estimate
Polar surface area
53.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1

Identifiers

CAS number
128676-84-6
SMILES
B(C1=CC2=CC=CC=C2N=C1Cl)(O)O
InChIKey
JAQXYUOPSOXQCG-UHFFFAOYSA-N
InChI
InChI=1S/C9H7BClNO2/c11-9-7(10(13)14)5-6-3-1-2-4-8(6)12-9/h1-5,13-14H

Weigh it out

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

Work with 2-Chloroquinoline-3-boronic acid

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-Chloro-3-quinolinecarboxylic acid73776-25-749 % similar 2,3-Dichloroquinoxaline2213-63-045 % similar Acridine260-94-645 % similar 1-Naphthylboronic acid13922-41-343 % similar Acridine monohydrochloride17784-47-341 % similar B-(2-Chloro-5-methyl-3-pyridinyl)boronic acid913835-86-641 % similar 3-Methoxynaphthalene-2-boronic acid104115-76-640 % similar 2-Chloroquinoline612-62-439 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook