2,6-Difluoro-3-methoxybenzeneboronic acid

C7H7BF2O3CAS 870779-02-5187.94 g/mol

Open in Covalent MOL file
BFOFOHHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C7H7BF2O3
Molar mass
187.94 g/mol
Exact mass
188.0456 Da
logP
-0.35Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 3 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
870779-02-5
SMILES
B(C1=C(C=CC(=C1F)OC)F)(O)O
InChIKey
WSRQWTCBDHWVGY-UHFFFAOYSA-N
InChI
InChI=1S/C7H7BF2O3/c1-13-5-3-2-4(9)6(7(5)10)8(11)12/h2-3,11-12H,1H3

Weigh it out

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

Work with 2,6-Difluoro-3-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

B-(3-Ethoxy-2,6-difluorophenyl)boronic acid849062-00-667 % similar 2-Fluoro-6-methoxyphenylboronic acid78495-63-363 % similar 2,3,6-Trifluorophenylboronic acid247564-71-261 % similar 2,3,4-Trifluoroanisole203245-16-359 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-654 % similar 2-Fluoro-3-methoxyphenylboronic acid352303-67-454 % similar 4-Fluoro-3-methoxyphenylboronic acid854778-31-754 % similar 2,6-Dimethoxyphenylboronic acid23112-96-150 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2,3-Difluoro-4-methoxyphenylboronic acid170981-41-6 (3,5-Difluoro-4-methoxyphenyl)boronic acid208641-98-9 2 6-Difluoro-4-methoxyphenylboronic acid406482-20-0

Elsewhere

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