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Home > Boronic Acids > 501945-71-7
501945-71-7 | 2-(1-BENZOTHIOPHEN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS No: 501945-71-7 Catalog No: AG00DD0E MDL No:MFCD05664405
Product Description
Catalog Number:
AG00DD0E
Chemical Name:
2-(1-BENZOTHIOPHEN-5-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
CAS Number:
501945-71-7
Molecular Formula:
C14H17BO2S
Molecular Weight:
260.1596
MDL Number:
MFCD05664405
IUPAC Name:
2-(1-benzothiophen-5-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
InChI:
InChI=1S/C14H17BO2S/c1-13(2)14(3,4)17-15(16-13)11-5-6-12-10(9-11)7-8-18-12/h5-9H,1-4H3
InChI Key:
YFTHTJAPODJVSL-UHFFFAOYSA-N
SMILES:
CC1(C)OB(OC1(C)C)c1ccc2c(c1)ccs2
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
260.104g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
260.158g/mol
Monoisotopic Mass:
260.104g/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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