5-Chloro-2-methylphenylboronic acid

C7H8BClO2CAS 148839-33-2170.40 g/mol

Open in Covalent MOL file
BClHOHO
Aryl halideBoronic acid

Properties

Molecular formula
C7H8BClO2
Molar mass
170.40 g/mol
Exact mass
170.0306 Da
logP
0.33Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
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
148839-33-2
SMILES
B(C1=C(C=CC(=C1)Cl)C)(O)O
InChIKey
QWTHTSAWMJFMOV-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BClO2/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4,10-11H,1H3

Weigh it out

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Names and synonyms

1 names
  • (5-Chloro-2-methylphenyl)boronic acid

Work with 5-Chloro-2-methylphenylboronic 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

2,5-Dichlorobenzeneboronic acid135145-90-360 % similar (2,5-Dimethylphenyl)boronic acid85199-06-060 % similar (5-Chloro-2-hydroxyphenyl)boronic Acid (contains varying amounts of Anhydride)89488-25-558 % similar 5-Fluoro-2-methylphenylboronic acid163517-62-256 % similar (5-Chloro-2-fluoro-phenyl)boronic acid352535-83-256 % similar 5-Chloro-2-methoxyphenylboronic acid89694-48-456 % similar 2,4-Dichlorophenylboronic acid68716-47-255 % similar 4-Chloro-1,2-dimethylbenzene615-60-154 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Chloro-4-methylphenylboronic acid175883-63-3 2-Chloro-5-methylphenylboronic acid193353-35-4 (4-Chloro-2-methylphenyl)boronic acid209919-30-2

Elsewhere

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