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Home > Boronic Acids > 148914-42-5
148914-42-5 | 1,3,2-Benzodioxaborole, 2,2'-[1-(4-methoxyphenyl)-1,2-ethanediyl]bis-
CAS No: 148914-42-5 Catalog No: AG007YDJ MDL No:
Product Description
Catalog Number:
AG007YDJ
Chemical Name:
1,3,2-Benzodioxaborole, 2,2'-[1-(4-methoxyphenyl)-1,2-ethanediyl]bis-
CAS Number:
148914-42-5
Molecular Formula:
C21H18B2O5
Molecular Weight:
371.9866
IUPAC Name:
2-[2-(1,3,2-benzodioxaborol-2-yl)-1-(4-methoxyphenyl)ethyl]-1,3,2-benzodioxaborole
InChI:
InChI=1S/C21H18B2O5/c1-24-16-12-10-15(11-13-16)17(23-27-20-8-4-5-9-21(20)28-23)14-22-25-18-6-2-3-7-19(18)26-22/h2-13,17H,14H2,1H3
InChI Key:
CDQSKZVISDKCIE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)C(B1Oc2c(O1)cccc2)CB1Oc2c(O1)cccc2
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
372.134g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
371.99g/mol
Monoisotopic Mass:
372.134g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
46.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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