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Home > Boronic Acids > 1218791-34-4
1218791-34-4 | Pyrimidine, 2-(phenylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1218791-34-4 Catalog No: AG0016BM MDL No:MFCD11878343
Product Description
Catalog Number:
AG0016BM
Chemical Name:
Pyrimidine, 2-(phenylmethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1218791-34-4
Molecular Formula:
C17H21BN2O3
Molecular Weight:
312.1712
MDL Number:
MFCD11878343
IUPAC Name:
2-phenylmethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
InChI:
InChI=1S/C17H21BN2O3/c1-16(2)17(3,4)23-18(22-16)14-10-19-15(20-11-14)21-12-13-8-6-5-7-9-13/h5-11H,12H2,1-4H3
InChI Key:
QEAOMIPVGHEIFT-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1cnc(nc1)OCc1ccccc1
Properties
Complexity:
375
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
312.165g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
312.176g/mol
Monoisotopic Mass:
312.165g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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