3,3-Dimethylbenzo[C][1,2]oxaborol-1(3H)-ol

C9H11BO2CAS 221352-10-9161.99 g/mol

Open in Covalent MOL file
BOHO

Properties

Molecular formula
C9H11BO2
Molar mass
161.99 g/mol
Exact mass
162.0852 Da
logP
0.64Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
221352-10-9
SMILES
B1(C2=CC=CC=C2C(O1)(C)C)O
InChIKey
XPHBVPSNNPMQPE-UHFFFAOYSA-N
InChI
InChI=1S/C9H11BO2/c1-9(2)7-5-3-4-6-8(7)10(11)12-9/h3-6,11H,1-2H3

Weigh it out

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Names and synonyms

1 names
  • 3,3-Dimethyl-1,3-dihydro-2,1-benzoxaborol-1-ol

Work with 3,3-Dimethylbenzo[C][1,2]oxaborol-1(3H)-ol

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

3,3-Dimethyl-6-nitrobenzo[C][1,2]oxaborol-1(3H)-ol1266084-47-250 % similar Cumene hydroperoxide80-15-938 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-437 % similar 2-Trifluoromethylphenylboronic acid1423-27-436 % similar 1-Hydroxy-2,1-benzoxaborolane5735-41-136 % similar 4,4,5,5-Tetramethyl-2-o-tolyl-1,3,2-dioxaborolane195062-59-034 % similar 2-(9,9-Dimethyl-9H-fluoren-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane1365692-79-034 % similar 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline191171-55-833 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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