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Home > Boronic Acids > 958451-93-9
958451-93-9 | 5-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE
CAS No: 958451-93-9 Catalog No: AG00IJH4 MDL No:MFCD11110418
Product Description
Catalog Number:
AG00IJH4
Chemical Name:
5-FLUORO-2-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-BENZO[B]THIOPHENE
CAS Number:
958451-93-9
Molecular Formula:
C14H16BFO2S
Molecular Weight:
278.1500
MDL Number:
MFCD11110418
IUPAC Name:
2-(5-fluoro-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H16BFO2S/c1-13(2)14(3,4)18-15(17-13)12-8-9-7-10(16)5-6-11(9)19-12/h5-8H,1-4H3
InChI Key:
XNRVFDSPXAGGNH-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)cc(s2)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.095g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.148g/mol
Monoisotopic Mass:
278.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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