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Home > Boronic Acids > 1704096-37-6
1704096-37-6 | (4-(N,N-diMethylsulfaMoyl)-3-fluorophenyl)boronic acid
CAS No: 1704096-37-6 Catalog No: AG00ARDE MDL No:
Product Description
Catalog Number:
AG00ARDE
Chemical Name:
(4-(N,N-diMethylsulfaMoyl)-3-fluorophenyl)boronic acid
CAS Number:
1704096-37-6
Molecular Formula:
C8H11BFNO4S
Molecular Weight:
247.0516
IUPAC Name:
[4-(dimethylsulfamoyl)-3-fluorophenyl]boronic acid
InChI:
InChI=1S/C8H11BFNO4S/c1-11(2)16(14,15)8-4-3-6(9(12)13)5-7(8)10/h3-5,12-13H,1-2H3
InChI Key:
JGUCXSLEWPAZKE-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1S(=O)(=O)N(C)C)B(O)O
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
247.047g/mol
Monoisotopic Mass:
247.049g/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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