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Home > Boronic Acids > 189563-63-1
189563-63-1 | 1,3,2-Benzodioxaborole, 2,2'-(1-butyl-1,2-ethanediyl)bis- (9CI)
CAS No: 189563-63-1 Catalog No: AG002DQL MDL No:
Product Description
Catalog Number:
AG002DQL
Chemical Name:
1,3,2-Benzodioxaborole, 2,2'-(1-butyl-1,2-ethanediyl)bis- (9CI)
CAS Number:
189563-63-1
Molecular Formula:
C18H20B2O4
Molecular Weight:
321.9710
IUPAC Name:
2-[1-(1,3,2-dioxaborolan-2-yl)hexan-2-yl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C10H20B2O4/c1-2-3-4-10(12-15-7-8-16-12)9-11-13-5-6-14-11/h10H,2-9H2,1H3
InChI Key:
HZZMZHDFCSDZJE-UHFFFAOYSA-N
SMILES:
CCCCC(B1Oc2c(O1)cccc2)CB1Oc2c(O1)cccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.155g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.886g/mol
Monoisotopic Mass:
226.155g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
36.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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