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Home > Boronic Acids > 874219-51-9
874219-51-9 | (3-(N-Benzylsulfamoyl);-4-methoxyphenyl);boronic acid
CAS No: 874219-51-9 Catalog No: AG004G71 MDL No:MFCD08235069
Product Description
Catalog Number:
AG004G71
Chemical Name:
(3-(N-Benzylsulfamoyl);-4-methoxyphenyl);boronic acid
CAS Number:
874219-51-9
Molecular Formula:
C14H16BNO5S
Molecular Weight:
321.1565
MDL Number:
MFCD08235069
IUPAC Name:
[3-(benzylsulfamoyl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C14H16BNO5S/c1-21-13-8-7-12(15(17)18)9-14(13)22(19,20)16-10-11-5-3-2-4-6-11/h2-9,16-18H,10H2,1H3
InChI Key:
QUPMMHPFKINRDE-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)NCc1ccccc1)B(O)O
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.084g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
321.154g/mol
Monoisotopic Mass:
321.084g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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