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Home > Boronic Acids > 156575-59-6
156575-59-6 | 1,3,2-Benzodioxaborole, 2-(2-phenylethyl)-
CAS No: 156575-59-6 Catalog No: AG001OT1 MDL No:
Product Description
Catalog Number:
AG001OT1
Chemical Name:
1,3,2-Benzodioxaborole, 2-(2-phenylethyl)-
CAS Number:
156575-59-6
Molecular Formula:
C14H13BO2
Molecular Weight:
224.0628
IUPAC Name:
2-(2-phenylethyl)-1,3,2-benzodioxaborole
InChI:
InChI=1S/C14H13BO2/c1-2-6-12(7-3-1)10-11-15-16-13-8-4-5-9-14(13)17-15/h1-9H,10-11H2
InChI Key:
KJJDSDSIHMSXPF-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)CCB1Oc2c(O1)cccc2
Properties
Complexity:
226
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.066g/mol
Monoisotopic Mass:
224.101g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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