chempirical

3-Isopropylbenzeneboronic acid

C9H13BO2CAS 216019-28-2164.01 g/mol

Open in Covalent MOL file
BHOHO
Boronic acid

Properties

Molecular formula
C9H13BO2
Molar mass
164.01 g/mol
Exact mass
164.1009 Da
logP
0.49Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Identifiers

CAS number
216019-28-2
SMILES
B(C1=CC(=CC=C1)C(C)C)(O)O
InChIKey
QSWLFBMVIGQONC-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO2/c1-7(2)8-4-3-5-9(6-8)10(11)12/h3-7,11-12H,1-2H3

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Names and synonyms

1 names
  • 3-Isopropylphenylboronic acid

Work with 3-Isopropylbenzeneboronic 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-Methylphenylboronic acid17933-03-852 % similar 3-Isopropylphenol618-45-152 % similar 3-Fluorophenylboronic acid768-35-448 % similar (3-Hydroxyphenyl)boronic acid87199-18-648 % similar 3-(Methylthio)benzeneboronic acid128312-11-847 % similar 3-(Trimethylsilyl)phenylboronic acid177171-16-347 % similar 3-Aminophenylboronic acid30418-59-847 % similar 3-(1-Methylethyl)benzenamine5369-16-447 % similar

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

Same formula

(4-Propylphenyl)boronic acid134150-01-9 4-Isopropylphenylboronic acid16152-51-5

Elsewhere

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