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Home > Boronic Acids > 486422-59-7
486422-59-7 | 4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID
CAS No: 486422-59-7 Catalog No: AG00D8FE MDL No:MFCD06659849
Product Description
Catalog Number:
AG00D8FE
Chemical Name:
4-(N,N-DIMETHYLSULPHONAMIDO)BENZENEBORONIC ACID
CAS Number:
486422-59-7
Molecular Formula:
C8H12BNO4S
Molecular Weight:
229.0612
MDL Number:
MFCD06659849
IUPAC Name:
[4-(dimethylsulfamoyl)phenyl]boronic acid
InChI:
InChI=1S/C8H12BNO4S/c1-10(2)15(13,14)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChI Key:
VVUGXBSXXJTVDS-UHFFFAOYSA-N
SMILES:
OB(c1ccc(cc1)S(=O)(=O)N(C)C)O
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.058g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
229.057g/mol
Monoisotopic Mass:
229.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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