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2246772-82-5 | N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide
CAS No: 2246772-82-5 Catalog No: AG00UZD9 MDL No:
Product Description
Catalog Number:
AG00UZD9
Chemical Name:
N-[2-fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamide
CAS Number:
2246772-82-5
Molecular Formula:
C14H21BFNO4S
Molecular Weight:
329.1952
IUPAC Name:
N-[2-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide
InChI:
InChI=1S/C14H21BFNO4S/c1-6-22(18,19)17-12-8-7-10(9-11(12)16)15-20-13(2,3)14(4,5)21-15/h7-9,17H,6H2,1-5H3
InChI Key:
ILUZMWXSVTUWCY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)Nc1ccc(cc1F)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
490
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.127g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.193g/mol
Monoisotopic Mass:
329.127g/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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