chempirical

4-(Ethoxycarbonyl)phenylboronic acid

C9H11BO4CAS 4334-88-7193.99 g/mol

Open in Covalent MOL file
OOBOHOH
Boronic acidEster

Properties

Molecular formula
C9H11BO4
Molar mass
193.99 g/mol
Exact mass
194.0750 Da
logP
-0.46Crippen estimate
Polar surface area
66.8 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
3

Identifiers

CAS number
4334-88-7
SMILES
CCOC(=O)c1ccc(B(O)O)cc1
InChIKey
ZLNFACCFYUFTLD-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BO4/c1-2-14-9(11)7-3-5-8(6-4-7)10(12)13/h3-6,12-13H,2H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • Benzoic acid, 4-borono-, 1-ethyl ester
  • Benzoic acid, p-borono-, 1-ethyl ester
  • Benzoic acid, p-borono-, ethyl ester
  • 4-Carboethoxybenzeneboronic acid
  • Ethyl 4-boronobenzoate
  • [4-[(Ethyloxy)carbonyl]phenyl]boronic acid
  • [p-(Ethoxycarbonyl)phenyl]boronic acid
  • 4-(Ethoxylcarbonyl)phenylboronic acid
  • (4-(Ethoxycabonyl)phenyl)boronic acid
  • Ethyl 4-dihydroxyborylbenzoate

Work with 4-(Ethoxycarbonyl)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

Diethyl terephthalate636-09-970 % similar Ethylparaben120-47-863 % similar 4-(Methoxycarbonyl)phenylboronic acid99768-12-463 % similar Ethyl 4-methylbenzoate94-08-660 % similar 1-Ethyl 5-borono-2-fluorobenzoate874219-36-060 % similar Ethyl benzoate93-89-059 % similar Ethyl 4-ethoxybenzoate23676-09-758 % similar Ethyl 4-fluorobenzoate451-46-758 % similar

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

Same formula

1-Ethyl 2-boronobenzoate380430-53-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook