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Home > Boronic Acids > 1313738-80-5
1313738-80-5 | Pyridine, 1,2,3,6-tetrahydro-1-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS No: 1313738-80-5 Catalog No: AG000W0X MDL No:MFCD11840350
Product Description
Catalog Number:
AG000W0X
Chemical Name:
Pyridine, 1,2,3,6-tetrahydro-1-(phenylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1313738-80-5
Molecular Formula:
C18H26BNO2
Molecular Weight:
299.2155
MDL Number:
MFCD11840350
IUPAC Name:
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine
InChI:
InChI=1S/C18H26BNO2/c1-17(2)18(3,4)22-19(21-17)16-11-8-12-20(14-16)13-15-9-6-5-7-10-15/h5-7,9-11H,8,12-14H2,1-4H3
InChI Key:
UGTKSTXDPAFDOM-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)C1=CCCN(C1)Cc1ccccc1
Properties
Complexity:
411
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
299.206g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
299.221g/mol
Monoisotopic Mass:
299.206g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
21.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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