chempirical

3-Fluoro-5-methoxyphenylboronic acid

C7H8BFO3CAS 609807-25-2169.95 g/mol

Open in Covalent MOL file
BFOHOHO
Aryl halideBoronic acidEther

Properties

Molecular formula
C7H8BFO3
Molar mass
169.95 g/mol
Exact mass
170.0551 Da
logP
-0.49Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
609807-25-2
SMILES
B(C1=CC(=CC(=C1)F)OC)(O)O
InChIKey
MQFKLCWETPKBCH-UHFFFAOYSA-N
InChI
InChI=1S/C7H8BFO3/c1-12-7-3-5(8(10)11)2-6(9)4-7/h2-4,10-11H,1H3

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Names and synonyms

1 names
  • (3-Fluoro-5-methoxyphenyl)boronic acid

Work with 3-Fluoro-5-methoxyphenylboronic 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

3,5-Dimethoxyphenylboronic acid192182-54-071 % similar (3,5-Difluorophenyl)boronic acid156545-07-261 % similar 1-Fluoro-3,5-dimethoxybenzene52189-63-661 % similar 1,3-Difluoro-5-methoxybenzene93343-10-361 % similar 3-Fluoro-5-(isobutoxy)benzeneboronic acid850589-57-059 % similar B-(3-Chloro-5-methoxyphenyl)boronic acid915201-07-959 % similar 3-Fluoro-5-methylbenzeneboronic acid850593-06-555 % similar B-[3-Fluoro-5-(phenylmethoxy)phenyl]boronic acid850589-56-954 % similar

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

Same formula

3-Fluoro-4-methoxybenzeneboronic acid149507-26-6 (2-Fluoro-4-methoxyphenyl)boronic acid162101-31-7 5-Fluoro-2-methoxyphenylboronic acid179897-94-0 (4-Fluoro-2-methoxyphenyl)boronic acid179899-07-1 2-Fluoro-3-methoxyphenylboronic acid352303-67-4 2-Fluoro-5-methoxyphenylboronic acid406482-19-7 4-Fluoro-3-(hydroxymethyl)benzeneboronic acid481681-02-1 2-Fluoro-6-methoxyphenylboronic acid78495-63-3

Elsewhere

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