3-Fluoro-4-propoxyphenylboronic acid

C₉H₁₂BFO₃CAS 192376-68-4198.00 g/mol

Open in Covalent MOL file

Aryl halide Boronic acid Ether

Properties

Molecular formula: C₉H₁₂BFO₃
Molar mass: 198.00 g/mol
Exact mass: 198.0864 Da
logP: 0.29Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 4

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

192376-68-4

SMILES

B(C1=CC(=C(C=C1)OCCC)F)(O)O

InChIKey

JJBMFQWJHYCKRY-UHFFFAOYSA-N

InChI

InChI=1S/C9H12BFO3/c1-2-5-14-9-4-3-7(10(12)13)6-8(9)11/h3-4,6,12-13H,2,5H2,1H3

Weigh it out

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

Names and synonyms

1 names

(3-Fluoro-4-propoxyphenyl)boronic acid

Work with 3-Fluoro-4-propoxyphenylboronic 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

4-Ethoxy-3-fluorophenylboronic acid279263-10-478 % similar B-(3-Ethoxy-4-fluorophenyl)boronic acid900174-65-464 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-661 % similar 4-Benzyloxy-3-fluorophenylboronic Acid133057-83-760 % similar (2,3-Dihydro-1,4-benzodioxin-6-yl)boronic acid164014-95-358 % similar 4-Propoxyphenylboronic acid186497-67-655 % similar 3,4-Dihydro-2H-1,5-benzodioxepin-7-ylboronic acid279261-89-155 % similar 3-Propoxyphenylboronic acid149557-18-654 % similar

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

Elsewhere

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