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Home > Boronic Acids > 913835-48-0
913835-48-0 | (4-(N,N-Bis(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS No: 913835-48-0 Catalog No: AG003BU9 MDL No:MFCD09027223
Product Description
Catalog Number:
AG003BU9
Chemical Name:
(4-(N,N-Bis(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS Number:
913835-48-0
Molecular Formula:
C22H24BNO6S
Molecular Weight:
441.3051
MDL Number:
MFCD09027223
IUPAC Name:
[4-[bis[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C22H24BNO6S/c1-29-20-9-3-17(4-10-20)15-24(16-18-5-11-21(30-2)12-6-18)31(27,28)22-13-7-19(8-14-22)23(25)26/h3-14,25-26H,15-16H2,1-2H3
InChI Key:
RIXQVRAJIJXTLD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)Cc1ccc(cc1)OC
Properties
Complexity:
592
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
441.142g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
441.305g/mol
Monoisotopic Mass:
441.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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