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Home > Boronic Acids > 1231930-37-2
1231930-37-2 | 4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CAS No: 1231930-37-2 Catalog No: AG000K56 MDL No:MFCD25977327
Product Description
Catalog Number:
AG000K56
Chemical Name:
4-Fluoro-2-methyl-1-(1-methylethyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazole
CAS Number:
1231930-37-2
Molecular Formula:
C17H24BFN2O2
Molecular Weight:
318.1941
MDL Number:
MFCD25977327
IUPAC Name:
4-fluoro-2-methyl-1-propan-2-yl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole
InChI:
InChI=1S/C17H24BFN2O2/c1-10(2)21-11(3)20-15-13(19)8-12(9-14(15)21)18-22-16(4,5)17(6,7)23-18/h8-10H,1-7H3
InChI Key:
HUSPISQCNSLJSR-UHFFFAOYSA-N
SMILES:
Fc1cc(cc2c1nc(n2C(C)C)C)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
444
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.191g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
318.199g/mol
Monoisotopic Mass:
318.191g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
36.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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