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1072944-91-2 | 2,4-Bis(benzyloxy)-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyrimidine
CAS No: 1072944-91-2 Catalog No: AG003FOO MDL No:MFCD09037496
Product Description
Catalog Number:
AG003FOO
Chemical Name:
2,4-Bis(benzyloxy)-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)pyrimidine
CAS Number:
1072944-91-2
Molecular Formula:
C23H25BN2O4
Molecular Weight:
404.2666
MDL Number:
MFCD09037496
IUPAC Name:
5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-2,4-bis(phenylmethoxy)pyrimidine
InChI:
InChI=1S/C23H25BN2O4/c1-23(2)16-29-24(30-17-23)20-13-25-22(28-15-19-11-7-4-8-12-19)26-21(20)27-14-18-9-5-3-6-10-18/h3-13H,14-17H2,1-2H3
InChI Key:
MRUSBJLGIGLWMC-UHFFFAOYSA-N
SMILES:
CC1(C)COB(OC1)c1cnc(nc1OCc1ccccc1)OCc1ccccc1
Properties
Complexity:
501
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.191g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.273g/mol
Monoisotopic Mass:
404.191g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
62.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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