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

C₉H₁₁BO₂CAS 221352-10-9161.99 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₉H₁₁BO₂
Molar mass: 161.99 g/mol
Exact mass: 162.0852 Da
logP: 0.64Crippen estimate
Polar surface area: 29.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

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

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

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 2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenol269409-97-437 % similar 2-Trifluoromethylphenylboronic acid1423-27-436 % 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 4-Pinacol ester-9,9-dipehnylfluorene1259280-37-933 % similar 2-(2-Methoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane190788-60-433 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook