2-Isopropoxyphenylboronic acid

C9H13BO3CAS 138008-97-6180.01 g/mol

Open in Covalent MOL file
BOOHHO
Boronic acidEther

Properties

Molecular formula
C9H13BO3
Molar mass
180.01 g/mol
Exact mass
180.0958 Da
logP
0.15Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
3

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
138008-97-6
SMILES
B(C1=CC=CC=C1OC(C)C)(O)O
InChIKey
XDMKBIIRBDPSOE-UHFFFAOYSA-N
InChI
InChI=1S/C9H13BO3/c1-7(2)13-9-6-4-3-5-8(9)10(11)12/h3-7,11-12H,1-2H3

Weigh it out

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

Work with 2-Isopropoxyphenylboronic 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

2-Methoxyphenylboronic acid5720-06-958 % similar (2-Phenoxyphenyl)boronic acid108238-09-156 % similar 2-Isopropoxyphenol4812-20-853 % similar (2-Ethoxyphenyl)boronic acid213211-69-953 % similar 1-Bromo-2-(1-methylethoxy)benzene701-07-550 % similar 2-(Trifluoromethoxy)phenylboronic Acid (contains varying amounts of Anhydride)175676-65-049 % similar 2-Isopropylbenzeneboronic acid89787-12-248 % similar 2-Butoxyphenylboronic acid91129-69-047 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Ethoxy-5-methylphenylboronic acid123291-97-4 3-Propoxyphenylboronic acid149557-18-6 4-Isopropoxybenzeneboronic acid153624-46-5 4-Propoxyphenylboronic acid186497-67-6 3-Isopropoxybenzeneboronic acid216485-86-8 3,5-Dimethyl-4-methoxybenzeneboronic acid301699-39-8 4-Ethoxy-2-methylphenylboronic acid313545-31-2 (2,6-Dimethyl-4-methoxyphenyl)boronic acid361543-99-9

Elsewhere

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