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Home > Boronic Acids > 913835-55-9
913835-55-9 | 4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98
CAS No: 913835-55-9 Catalog No: AG00GTD1 MDL No:MFCD08689489
Product Description
Catalog Number:
AG00GTD1
Chemical Name:
4-[N-ETHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 98
CAS Number:
913835-55-9
Molecular Formula:
C16H20BNO5S
Molecular Weight:
349.2097
MDL Number:
MFCD08689489
IUPAC Name:
[4-[ethyl-[(4-methoxyphenyl)methyl]sulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C16H20BNO5S/c1-3-18(12-13-4-8-15(23-2)9-5-13)24(21,22)16-10-6-14(7-11-16)17(19)20/h4-11,19-20H,3,12H2,1-2H3
InChI Key:
YDJYSSQVBYJDIJ-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)CC
Properties
Complexity:
465
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.116g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.208g/mol
Monoisotopic Mass:
349.116g/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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