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Home > Boronic Acids > 1315281-49-2
1315281-49-2 | 2-[4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1,2,3,4-tetrahydroisoquinoline
CAS No: 1315281-49-2 Catalog No: AG009WVF MDL No:MFCD16294539
Product Description
Catalog Number:
AG009WVF
Chemical Name:
2-[4-(4,4,5,5-TetraMethyl-1,3,2-dioxaborolan-2-yl)benzyl]-1,2,3,4-tetrahydroisoquinoline
CAS Number:
1315281-49-2
Molecular Formula:
C22H28BNO2
Molecular Weight:
349.2742
MDL Number:
MFCD16294539
IUPAC Name:
2-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline
InChI:
InChI=1S/C22H28BNO2/c1-21(2)22(3,4)26-23(25-21)20-11-9-17(10-12-20)15-24-14-13-18-7-5-6-8-19(18)16-24/h5-12H,13-16H2,1-4H3
InChI Key:
QPDBXVVQMPYSCO-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc(cc1)CN1CCc2c(C1)cccc2
Properties
Complexity:
471
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.221g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.281g/mol
Monoisotopic Mass:
349.221g/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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