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Home > Boronic Acids > 1206163-56-5
1206163-56-5 | 1-Benzyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole
CAS No: 1206163-56-5 Catalog No: AG0099U1 MDL No:MFCD11894320
Product Description
Catalog Number:
AG0099U1
Chemical Name:
1-Benzyl-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-1H-indole
CAS Number:
1206163-56-5
Molecular Formula:
C21H24BNO2
Molecular Weight:
333.2318
MDL Number:
MFCD11894320
IUPAC Name:
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
InChI:
InChI=1S/C21H24BNO2/c1-20(2)21(3,4)25-22(24-20)18-10-11-19-17(14-18)12-13-23(19)15-16-8-6-5-7-9-16/h5-14H,15H2,1-4H3
InChI Key:
ZJVGZQOSLAZPOI-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)ccn2Cc1ccccc1
Properties
Complexity:
459
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.238g/mol
Monoisotopic Mass:
333.19g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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