chempirical

4-(Methoxycarbonyl)phenylboronic acid

C8H9BO4CAS 99768-12-4179.97 g/mol

Open in Covalent MOL file
OOBOHOH
Boronic acidEster

Properties

Molecular formula
C8H9BO4
Molar mass
179.97 g/mol
Exact mass
180.0594 Da
Melting point
230–233 °C
logP
-0.85Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
2

Identifiers

CAS number
99768-12-4
SMILES
COC(=O)c1ccc(B(O)O)cc1
InChIKey
PQCXFUXRTRESBD-UHFFFAOYSA-N
InChI
InChI=1S/C8H9BO4/c1-13-8(10)6-2-4-7(5-3-6)9(11)12/h2-5,11-12H,1H3

Weigh it out

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

Names and synonyms

12 names
  • Benzoic acid, 4-borono-, 1-methyl ester
  • Benzoic acid, p-borono-, methyl ester
  • 4-Carbomethoxybenzeneboronic acid
  • 4-Methoxycarbonylbenzeneboronic acid
  • (4-Carbomethoxyphenyl)boronic acid
  • p-(Methoxycarbonyl)boronic acid
  • Methyl p-boronobenzoate
  • p-(Methoxycarbonyl)phenylboronic acid
  • Methyl 4-boronobenzoate
  • Methyl 4-carboxyphenylboronic acid
  • 4-Dihydroxyborylbenzoic acid methyl ester
  • 4-Methoxycarbonylphenylboric acid

Work with 4-(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

Dimethyl terephthalate120-61-667 % similar 4-(Ethoxycarbonyl)phenylboronic acid4334-88-763 % similar 4,4′-Dimethyl [1,1′-biphenyl]-4,4′-dicarboxylate792-74-560 % similar Methylparaben99-76-359 % similar 1-Methyl 3-amino-5-boronobenzoate380430-56-858 % similar Monomethyl terephthalate1679-64-758 % similar Methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate171364-80-057 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-556 % similar

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

Same formula

(3-Formyl-4-methoxyphenyl)boronic acid121124-97-8 2-Methoxy-5-formylphenylboronic acid127972-02-5 1-Methyl 2-boronobenzoate374538-03-1

Elsewhere

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