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Home > Boronic Acids > 1014613-40-1
1014613-40-1 | 2-hydroxy-S-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamido
CAS No: 1014613-40-1 Catalog No: AG01BAL9 MDL No:MFCD28397687
Product Description
Catalog Number:
AG01BAL9
Chemical Name:
2-hydroxy-S-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethane-1-sulfonamido
CAS Number:
1014613-40-1
Molecular Formula:
C14H22BNO5S
Molecular Weight:
327.2042
MDL Number:
MFCD28397687
IUPAC Name:
N-(2-hydroxyethyl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
InChI:
InChI=1S/C14H22BNO5S/c1-13(2)14(3,4)21-15(20-13)11-5-7-12(8-6-11)22(18,19)16-9-10-17/h5-8,16-17H,9-10H2,1-4H3
InChI Key:
ZKZFMLOBRZWBRY-UHFFFAOYSA-N
SMILES:
OCCNS(=O)(=O)c1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.131g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.202g/mol
Monoisotopic Mass:
327.131g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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