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Home > Boronic Acids > 913835-52-6
913835-52-6 | 4-(N-ACETYLSULPHAMOYL)BENZENEBORONIC ACID 97
CAS No: 913835-52-6 Catalog No: AG00GTDD MDL No:MFCD08436010
Product Description
Catalog Number:
AG00GTDD
Chemical Name:
4-(N-ACETYLSULPHAMOYL)BENZENEBORONIC ACID 97
CAS Number:
913835-52-6
Molecular Formula:
C8H10BNO5S
Molecular Weight:
243.0447
MDL Number:
MFCD08436010
IUPAC Name:
[4-(acetylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H10BNO5S/c1-6(11)10-16(14,15)8-4-2-7(3-5-8)9(12)13/h2-5,12-13H,1H3,(H,10,11)
InChI Key:
CEUUKZMDDOCDTD-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)NC(=O)C)O
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.037g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
243.04g/mol
Monoisotopic Mass:
243.037g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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