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Home > Boronic Acids > 1469930-84-4
1469930-84-4 | 4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
CAS No: 1469930-84-4 Catalog No: AG01FKZE MDL No:
Product Description
Catalog Number:
AG01FKZE
Chemical Name:
4-fluoro-N-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)benzenesulfonamide
CAS Number:
1469930-84-4
Molecular Formula:
C18H21BFNO4S
Molecular Weight:
377.2380
IUPAC Name:
4-fluoro-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzenesulfonamide
InChI:
InChI=1S/C18H21BFNO4S/c1-17(2)18(3,4)25-19(24-17)13-5-9-15(10-6-13)21-26(22,23)16-11-7-14(20)8-12-16/h5-12,21H,1-4H3
InChI Key:
MQCOAJIVRNEYIQ-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
575
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
377.127g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
377.237g/mol
Monoisotopic Mass:
377.127g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
73A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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