chempirical

3,5-Bis(methoxycarbonyl)phenylboronic acid

C10H11BO6CAS 177735-55-6238.00 g/mol

Open in Covalent MOL file
BOOOOOHHO
Boronic acidEster

Properties

Molecular formula
C10H11BO6
Molar mass
238.00 g/mol
Exact mass
238.0649 Da
logP
-1.06Crippen estimate
Polar surface area
93.1 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
3

Identifiers

CAS number
177735-55-6
SMILES
B(C1=CC(=CC(=C1)C(=O)OC)C(=O)OC)(O)O
InChIKey
WEJWFDLAZSVCJK-UHFFFAOYSA-N
InChI
InChI=1S/C10H11BO6/c1-16-9(12)6-3-7(10(13)17-2)5-8(4-6)11(14)15/h3-5,14-15H,1-2H3

Weigh it out

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

Work with 3,5-Bis(methoxycarbonyl)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

1-Methyl 3-amino-5-boronobenzoate380430-56-876 % similar 3-Methoxycarbonyl-5-nitrophenylboronic acid117342-20-867 % similar Trimethyl 1,3,5-benzenetricarboxylate2672-58-467 % similar Dimethyl 5-hydroxyisophthalate13036-02-759 % similar 3,5-Dihydroxybenzoic acid methyl ester2150-44-955 % similar Dimethyl isophthalate1459-93-453 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-553 % similar 1-Methyl 4-borono-3-chlorobenzoate603122-80-153 % similar

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

Elsewhere

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