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Home > Boronic Acids > 913835-54-8
913835-54-8 | 4-[N-METHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 96
CAS No: 913835-54-8 Catalog No: AG00GTCQ MDL No:MFCD08689488
Product Description
Catalog Number:
AG00GTCQ
Chemical Name:
4-[N-METHYL-N-(4-METHOXYBENZYL)SULPHAMOYL]BENZENEBORONIC ACID 96
CAS Number:
913835-54-8
Molecular Formula:
C15H18BNO5S
Molecular Weight:
335.1831
MDL Number:
MFCD08689488
IUPAC Name:
[4-[(4-methoxyphenyl)methyl-methylsulfamoyl]phenyl]boronic acid
InChI:
InChI=1S/C15H18BNO5S/c1-17(11-12-3-7-14(22-2)8-4-12)23(20,21)15-9-5-13(6-10-15)16(18)19/h3-10,18-19H,11H2,1-2H3
InChI Key:
ZBCCMISCUYAJDA-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)CN(S(=O)(=O)c1ccc(cc1)B(O)O)C
Properties
Complexity:
451
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.1g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
335.181g/mol
Monoisotopic Mass:
335.1g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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