chempirical

4-(Benzyloxycarbonylamino)-2-fluorophenylboronic acid

C14H13BFNO4CAS 874290-59-2289.07 g/mol

Open in Covalent MOL file
BNHOOFOHHO
Aryl halideBoronic acidCarbamate

Properties

Molecular formula
C14H13BFNO4
Molar mass
289.07 g/mol
Exact mass
289.0922 Da
logP
1.25Crippen estimate
Polar surface area
78.8 Ų
H-bond donors / acceptors
3 / 4
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
874290-59-2
SMILES
B(C1=C(C=C(C=C1)NC(=O)OCC2=CC=CC=C2)F)(O)O
InChIKey
MPXQYNYBUZHTMR-UHFFFAOYSA-N
InChI
InChI=1S/C14H13BFNO4/c16-13-8-11(6-7-12(13)15(19)20)17-14(18)21-9-10-4-2-1-3-5-10/h1-8,19-20H,9H2,(H,17,18)

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Names and synonyms

1 names
  • Carbamic acid, (4-borono-3-fluorophenyl)-, C-(phenylmethyl) ester (9ci)

Work with 4-(Benzyloxycarbonylamino)-2-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

4-Benzyloxy-2-fluorophenylboronic acid166744-78-154 % similar Benzyl (3-fluoro-4-(6-(2-methyl-2H-tetrazol-5-yl)pyridin-3-yl)phenyl)carbamate1220910-89-346 % similar Benzyl N-(2-hydroxyethyl)carbamate77987-49-643 % similar Benzyl 2-oxo-1,2-dihydropyridin-3-ylcarbamate147269-67-843 % similar 3-Fluoro-4-biphenylboronic acid409108-13-043 % similar 2-Fluoro-4-(methoxycarbonyl)benzeneboronic acid603122-84-543 % similar (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-343 % similar Z-Phg-oh53990-33-342 % similar

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

Elsewhere

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