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Home > Boronic Acids > 1469440-25-2
1469440-25-2 | Thiomorpholine, 4-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dioxide
CAS No: 1469440-25-2 Catalog No: AG001EGD MDL No:
Product Description
Catalog Number:
AG001EGD
Chemical Name:
Thiomorpholine, 4-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-, 1,1-dioxide
CAS Number:
1469440-25-2
Molecular Formula:
C17H25BFNO4S
Molecular Weight:
369.2591
IUPAC Name:
4-[[3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]-1,4-thiazinane 1,1-dioxide
InChI:
InChI=1S/C17H25BFNO4S/c1-16(2)17(3,4)24-18(23-16)14-6-5-13(11-15(14)19)12-20-7-9-25(21,22)10-8-20/h5-6,11H,7-10,12H2,1-4H3
InChI Key:
OGTBAZGVNKAHSD-UHFFFAOYSA-N
SMILES:
Fc1cc(ccc1B1OC(C(O1)(C)C)(C)C)CN1CCS(=O)(=O)CC1
Properties
Complexity:
562
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
369.158g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
369.258g/mol
Monoisotopic Mass:
369.158g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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