2,4-Bis(benzyloxy)pyrimidine-5-boronic acid

C18H17BN2O4CAS 70523-24-9336.15 g/mol

Open in Covalent MOL file
BNNOOHOHO
Boronic acidEther

Properties

Molecular formula
C18H17BN2O4
Molar mass
336.15 g/mol
Exact mass
336.1281 Da
logP
1.31Crippen estimate
Polar surface area
84.7 Ų
H-bond donors / acceptors
2 / 6
Rotatable bonds
7

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 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
70523-24-9
SMILES
B(C1=CN=C(N=C1OCC2=CC=CC=C2)OCC3=CC=CC=C3)(O)O
InChIKey
HVVGEQHZGHNHJD-UHFFFAOYSA-N
InChI
InChI=1S/C18H17BN2O4/c22-19(23)16-11-20-18(25-13-15-9-5-2-6-10-15)21-17(16)24-12-14-7-3-1-4-8-14/h1-11,22-23H,12-13H2

Weigh it out

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

Work with 2,4-Bis(benzyloxy)pyrimidine-5-boronic 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-Benzyloxyphenylboronic acid190661-29-151 % similar 6-Benzyloxypyridine-3-boronic acid929250-35-149 % similar 4-Benzyloxy-phenylboronic acid146631-00-748 % similar (2,4-Dimethoxypyrimidin-5-yl)boronic acid89641-18-947 % similar 4-Benzyloxy-2-fluorophenylboronic acid166744-78-144 % similar 2-Benzyloxy-5-fluorophenylboronic acid779331-47-444 % similar 4-Benzyloxy-2-methylphenylboronic acid847560-49-044 % similar (2-Benzyloxy-4-fluorophenyl)boronic acid848779-87-344 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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