4-Ethoxycarbonyl-3-fluorophenylboronic acid

C9H10BFO4CAS 874288-38-7211.98 g/mol

Open in Covalent MOL file
BOOFHOHO
Aryl halideBoronic acidEster

Properties

Molecular formula
C9H10BFO4
Molar mass
211.98 g/mol
Exact mass
212.0656 Da
logP
-0.32Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 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
874288-38-7
SMILES
B(C1=CC(=C(C=C1)C(=O)OCC)F)(O)O
InChIKey
CXSPPZZTTSHTMP-UHFFFAOYSA-N
InChI
InChI=1S/C9H10BFO4/c1-2-15-9(12)7-4-3-6(10(13)14)5-8(7)11/h3-5,13-14H,2H2,1H3

Weigh it out

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Names and synonyms

1 names
  • 4-(Ethoxycarbonyl)-3-fluorophenylboronic Acid (contains varying amounts of Anhydride)

Work with 4-Ethoxycarbonyl-3-fluorophenylboronic 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-Fluoro-4-(methoxycarbonyl)benzeneboronic acid505083-04-569 % similar Ethyl 2,4-difluorobenzoate108928-00-364 % similar 4-Ethoxycarbonylphenylboronic acid4334-88-760 % similar (3-Ethoxycarbonylphenyl)boronic acid4334-87-658 % similar Ethyl o-fluorobenzoate443-26-557 % similar 4-Carboxy-3-fluorophenylboronic acid120153-08-456 % similar 4-Ethoxy-3-fluorophenylboronic acid279263-10-455 % similar 4-Fluoro-3-(methoxycarbonyl)phenylboronic acid874219-35-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Ethyl 5-borono-2-fluorobenzoate874219-36-0

Elsewhere

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