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Home > Boronic Acids > 913835-96-8
913835-96-8 | (4-(N-Isopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS No: 913835-96-8 Catalog No: AG006NAC MDL No:MFCD08689524
Product Description
Catalog Number:
AG006NAC
Chemical Name:
(4-(N-Isopropyl-N-(4-methoxybenzyl)sulfamoyl)phenyl)boronic acid
CAS Number:
913835-96-8
Molecular Formula:
C17H22BNO5S
Molecular Weight:
363.2363
MDL Number:
MFCD08689524
IUPAC Name:
[4-[(4-methoxyphenyl)methyl-propan-2-ylsulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C17H22BNO5S/c1-13(2)19(12-14-4-8-16(24-3)9-5-14)25(22,23)17-10-6-15(7-11-17)18(20)21/h4-11,13,20-21H,12H2,1-3H3
InChI Key:
YCTUMPATZIWTLB-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C(C)C
Properties
Complexity:
492
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.131g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.235g/mol
Monoisotopic Mass:
363.131g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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