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Home > Boronic Acids > 874459-70-8
874459-70-8 | (3-(N,N-dimethylsulfamoyl)-4-methoxyphenyl)boronic acid
CAS No: 874459-70-8 Catalog No: AG019F00 MDL No:MFCD28400499
Product Description
Catalog Number:
AG019F00
Chemical Name:
(3-(N,N-dimethylsulfamoyl)-4-methoxyphenyl)boronic acid
CAS Number:
874459-70-8
Molecular Formula:
C9H14BNO5S
Molecular Weight:
259.0872
MDL Number:
MFCD28400499
IUPAC Name:
[3-(dimethylsulfamoyl)-4-methoxyphenyl]boronic acid
InChI:
InChI=1S/C9H14BNO5S/c1-11(2)17(14,15)9-6-7(10(12)13)4-5-8(9)16-3/h4-6,12-13H,1-3H3
InChI Key:
DLZBEMZKWQBTOM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1S(=O)(=O)N(C)C)B(O)O
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
259.083g/mol
Monoisotopic Mass:
259.069g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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