2-Isopropylbenzeneboronic acid

C9H13BO2CAS 89787-12-2164.01 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

Hazards

Warning
Irritant (GHS07)

Aggregated from 9 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
89787-12-2
SMILES
B(C1=CC=CC=C1C(C)C)(O)O
InChIKey
KTZUVUWIBZMHMC-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO2/c1-7(2)8-5-3-4-6-9(8)10(11)12/h3-7,11-12H,1-2H3

Weigh it out

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

Names and synonyms

1 names
  • 2-Isopropylphenylboronic acid

Work with 2-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

Bis(1-methylethyl)benzene25321-09-954 % similar 2-Isopropoxyphenylboronic acid138008-97-648 % similar 2-Ethylphenylboronic Acid (contains varying amounts of Anhydride)90002-36-148 % similar 2-Methylphenylboronic acid16419-60-648 % similar 2-Isopropylphenol88-69-748 % similar Propofol2078-54-845 % similar (2-Bromophenyl)boronic acid244205-40-145 % similar O-Cymene527-84-445 % 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 3-Isopropylbenzeneboronic acid216019-28-2 2,4,6-Trimethylbenzeneboronic acid5980-97-2

Elsewhere

PubChem CAS Common Chemistry NIST WebBook