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864754-06-3

864754-06-3 | Ethanone,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]-

CAS No: 864754-06-3 Catalog No: AG008G2Z MDL No:MFCD08706012

Product Description

Catalog Number:
AG008G2Z
Chemical Name:
Ethanone,1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-thienyl]-
CAS Number:
864754-06-3
Molecular Formula:
C12H17BO3S
Molecular Weight:
252.1376
MDL Number:
MFCD08706012
IUPAC Name:
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)thiophen-2-yl]ethanone
InChI:
InChI=1S/C12H17BO3S/c1-8(14)10-9(6-7-17-10)13-15-11(2,3)12(4,5)16-13/h6-7H,1-5H3
InChI Key:
FBDDPRDMHWFOHX-UHFFFAOYSA-N
SMILES:
CC(=O)c1sccc1B1OC(C(O1)(C)C)(C)C

Properties

Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.099g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.135g/mol
Monoisotopic Mass:
252.099g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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