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Home > Boronic Acids > 111525-15-6
111525-15-6 | 1H-Borole, 2-hexyl-2,5-dihydro-4-methyl-1-(1,1,2-trimethylpropyl)-
CAS No: 111525-15-6 Catalog No: AG007SP9 MDL No:
Product Description
Catalog Number:
AG007SP9
Chemical Name:
1H-Borole, 2-hexyl-2,5-dihydro-4-methyl-1-(1,1,2-trimethylpropyl)-
CAS Number:
111525-15-6
Molecular Formula:
C17H33B
Molecular Weight:
248.2549
IUPAC Name:
1-(2,3-dimethylbutan-2-yl)-2-hexyl-4-methyl-2,5-dihydroborole
InChI:
InChI=1S/C17H33B/c1-7-8-9-10-11-16-12-15(4)13-18(16)17(5,6)14(2)3/h12,14,16H,7-11,13H2,1-6H3
InChI Key:
NRLPKXMYOSKLKD-UHFFFAOYSA-N
SMILES:
CCCCCCC1C=C(CB1C(C(C)C)(C)C)C
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.268g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
248.261g/mol
Monoisotopic Mass:
248.268g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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