3-Trifluoromethyl-4-methoxy-phenylboronic acid

C8H8BF3O3CAS 149507-36-8219.95 g/mol

Open in Covalent MOL file
BOFFFHOHO
Alkyl halideBoronic acidEther

Properties

Molecular formula
C8H8BF3O3
Molar mass
219.95 g/mol
Exact mass
220.0519 Da
logP
0.39Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2

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
149507-36-8
SMILES
B(C1=CC(=C(C=C1)OC)C(F)(F)F)(O)O
InChIKey
BUSMBMGODABSIN-UHFFFAOYSA-N
InChI
InChI=1S/C8H8BF3O3/c1-15-7-3-2-5(9(13)14)4-6(7)8(10,11)12/h2-4,13-14H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 4-Methoxy-3-(trifluoromethyl)benzeneboronic acid

Work with 3-Trifluoromethyl-4-methoxy-phenylboronic 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 acid122775-35-362 % similar 3-Fluoro-4-methoxybenzeneboronic acid149507-26-659 % similar (4-Methoxy-3-methylphenyl)boronic acid175883-62-257 % similar B-[4-Fluoro-3-(trifluoromethyl)phenyl]boronic acid182344-23-657 % similar 4-Bromo-1-methoxy-2-(trifluoromethyl)benzene1514-11-055 % similar 3-Chloro-4-methoxybenzeneboronic acid175883-60-055 % similar 4-Chloro-3-(trifluoromethyl)benzeneboronic acid176976-42-455 % similar 5-Amino-2-methoxybenzotrifluoride393-15-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methoxy-5-(trifluoromethyl)phenylboronic acid240139-82-6 (2-Methoxy-4-(trifluoromethyl)phenyl)boronic acid312936-89-3 4-Methoxy-2-(trifluoromethyl)phenylboronic acid313546-16-6 4-(2,2,2-Trifluoroethoxy)benzeneboronic acid886536-37-4

Elsewhere

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