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Home > Boronic Acids > 98875-37-7
98875-37-7 | 1,3,2-Benzodioxaborole, 2-octyl-
CAS No: 98875-37-7 Catalog No: AG005TUI MDL No:
Product Description
Catalog Number:
AG005TUI
Chemical Name:
1,3,2-Benzodioxaborole, 2-octyl-
CAS Number:
98875-37-7
Molecular Formula:
C14H21BO2
Molecular Weight:
232.1263
IUPAC Name:
2-octyl-1,3,2-benzodioxaborole
InChI:
InChI=1S/C14H21BO2/c1-2-3-4-5-6-9-12-15-16-13-10-7-8-11-14(13)17-15/h7-8,10-11H,2-6,9,12H2,1H3
InChI Key:
DTEWYFLNXKZSHA-UHFFFAOYSA-N
SMILES:
CCCCCCCCB1Oc2c(O1)cccc2
Properties
Complexity:
196
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
232.13g/mol
Monoisotopic Mass:
232.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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