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Home > Boronic Acids > 871332-99-9
871332-99-9 | (5-(N,N-Dimethylsulfamoyl)-2-methylphenyl)boronic acid
CAS No: 871332-99-9 Catalog No: AG0036ES MDL No:MFCD08056363
Product Description
Catalog Number:
AG0036ES
Chemical Name:
(5-(N,N-Dimethylsulfamoyl)-2-methylphenyl)boronic acid
CAS Number:
871332-99-9
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD08056363
IUPAC Name:
[5-(dimethylsulfamoyl)-2-methylphenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-7-4-5-8(6-9(7)10(12)13)16(14,15)11(2)3/h4-6,12-13H,1-3H3
InChI Key:
ISKRAODOAGHCKV-UHFFFAOYSA-N
SMILES:
OB(c1cc(ccc1C)S(=O)(=O)N(C)C)O
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.074g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
243.084g/mol
Monoisotopic Mass:
243.074g/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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