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Home > Boronic Acids > 913835-95-7
913835-95-7 | (4-(N-Benzyl-N-(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS No: 913835-95-7 Catalog No: AG003BUB MDL No:MFCD08689526
Product Description
Catalog Number:
AG003BUB
Chemical Name:
(4-(N-Benzyl-N-(4-methoxybenzyl);sulfamoyl);phenyl);boronic acid
CAS Number:
913835-95-7
Molecular Formula:
C21H22BNO5S
Molecular Weight:
411.2791
MDL Number:
MFCD08689526
IUPAC Name:
[4-[benzyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C21H22BNO5S/c1-28-20-11-7-18(8-12-20)16-23(15-17-5-3-2-4-6-17)29(26,27)21-13-9-19(10-14-21)22(24)25/h2-14,24-25H,15-16H2,1H3
InChI Key:
KVYLYENGQVBOPD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)Cc1ccccc1
Properties
Complexity:
574
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.131g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
411.279g/mol
Monoisotopic Mass:
411.131g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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