3-Chloro-4-methoxybenzeneboronic acid

C₇H₈BClO₃CAS 175883-60-0186.40 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₇H₈BClO₃
Molar mass: 186.40 g/mol
Exact mass: 186.0255 Da
logP: 0.03Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed16.7% of notifiers
H312 Harmful in contact with skin16.7% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled16.7% of notifiers
H335 May cause respiratory irritation83.3% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

175883-60-0

SMILES

B(C1=CC(=C(C=C1)OC)Cl)(O)O

InChIKey

VUTJHOWRPUPHIG-UHFFFAOYSA-N

InChI

InChI=1S/C7H8BClO3/c1-12-7-3-2-5(8(10)11)4-6(7)9/h2-4,10-11H,1H3

Weigh it out

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

Names and synonyms

1 names

3-Chloro-4-methoxyphenylboronic acid

Work with 3-Chloro-4-methoxybenzeneboronic 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

3,4-Dimethoxyphenylboronic acid122775-35-368 % similar 3-Chloro-4-ethoxyphenylboronic acid279261-81-364 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-262 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-660 % similar 3,4-Dichlorobenzeneboronic acid151169-75-458 % similar 3-(Hydroxymethyl)-4-methoxyphenylboronic Acid908142-03-057 % similar 3-Chloro-4-methylphenylboronic acid175883-63-356 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-756 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-4-methoxyphenylboronic acid219735-99-6 2-Chloro-6-methoxyphenylboronic acid385370-80-9 4-Chloro-2-methoxyphenylboronic acid762287-57-0 (2-Chloro-5-methoxyphenyl)boronic acid89694-46-2 (4-Chloro-3-methoxyphenyl)boronic acid89694-47-3 5-Chloro-2-methoxyphenylboronic acid89694-48-4 3-Chloro-5-methoxybenzeneboronic acid915201-07-9

Elsewhere

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