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Home > Boronic Acids > 864754-44-9
864754-44-9 | 1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-[(methylthio)methoxy]phenyl]-
CAS No: 864754-44-9 Catalog No: AG004QPI MDL No:
Product Description
Catalog Number:
AG004QPI
Chemical Name:
1,3,2-Dioxaborolane,4,4,5,5-tetramethyl-2-[3-[(methylthio)methoxy]phenyl]-
CAS Number:
864754-44-9
Molecular Formula:
C14H21BO3S
Molecular Weight:
280.1907
IUPAC Name:
4,4,5,5-tetramethyl-2-[3-(methylsulfanylmethoxy)phenyl]-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H21BO3S/c1-13(2)14(3,4)18-15(17-13)11-7-6-8-12(9-11)16-10-19-5/h6-9H,10H2,1-5H3
InChI Key:
ZYBBKFZFDSQWRB-UHFFFAOYSA-N
SMILES:
CSCOc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.13g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.189g/mol
Monoisotopic Mass:
280.13g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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