chempirical

2-Chlorophenylboronic acid

C6H6BClO2CAS 3900-89-8156.37 g/mol

Open in Covalent MOL file
BClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C6H6BClO2
Molar mass
156.37 g/mol
Exact mass
156.0149 Da
logP
0.02Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
3900-89-8
SMILES
B(C1=CC=CC=C1Cl)(O)O
InChIKey
RRCMGJCFMJBHQC-UHFFFAOYSA-N
InChI
InChI=1S/C6H6BClO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4,9-10H

Weigh it out

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

Work with 2-Chlorophenylboronic 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

(2,3-Dichlorophenyl)boronic acid151169-74-368 % similar 3-Chloro-2-fluorophenylboronic acid352535-82-163 % similar 2,5-Dichlorobenzeneboronic acid135145-90-359 % similar 2,4-Dichlorophenylboronic acid68716-47-259 % similar 2,6-Dichlorobenzeneboronic acid73852-17-258 % similar (4-Chloronaphthalen-1-yl)boronic acid147102-97-457 % similar 2-Chloro-5-methylphenylboronic acid193353-35-455 % similar 2-Chloro-4-fluorobenzeneboronic acid313545-72-155 % similar

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

Same formula

(4-Chlorophenyl)boronic acid1679-18-1 3-Chlorophenylboronic acid63503-60-6

Elsewhere

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