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Home > Boronic Acids > 1704067-08-2
1704067-08-2 | (3-(N,N-dimethylsulfamoyl)-4-methylphenyl)boronic acid
CAS No: 1704067-08-2 Catalog No: AG003AOF MDL No:MFCD28384275
Product Description
Catalog Number:
AG003AOF
Chemical Name:
(3-(N,N-dimethylsulfamoyl)-4-methylphenyl)boronic acid
CAS Number:
1704067-08-2
Molecular Formula:
C9H14BNO4S
Molecular Weight:
243.0878
MDL Number:
MFCD28384275
IUPAC Name:
[3-(dimethylsulfamoyl)-4-methylphenyl]boronic acid
InChI:
InChI=1S/C9H14BNO4S/c1-7-4-5-8(10(12)13)6-9(7)16(14,15)11(2)3/h4-6,12-13H,1-3H3
InChI Key:
RSLWTSMRYCPXGI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1S(=O)(=O)N(C)C)B(O)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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