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

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
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-methylquinoline57876-69-453 % similar 2-Chloro-3-(chloromethyl)quinoline90097-52-250 % similar 2-Chloroquinoline-3-carboxylic acid73776-25-749 % similar 2-Chloro-3-quinolinecarboxaldehyde oxime93299-49-149 % similar 2-Chloro-3-quinolinecarboxaldehyde73568-25-949 % similar 3-Quinolineboronic acid191162-39-749 % similar 2,6-Dichloropyridine-3-boronic acid148493-34-947 % similar 2-Quinolinylboronic acid745784-12-747 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook