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Home > Boronic Acids > 942070-43-1
942070-43-1 | 1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROL-3-YL)ETHANONE
CAS No: 942070-43-1 Catalog No: AG006OD0 MDL No:
Product Description
Catalog Number:
AG006OD0
Chemical Name:
1-(5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-1H-PYRROL-3-YL)ETHANONE
CAS Number:
942070-43-1
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
IUPAC Name:
1-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-3-yl]ethanone
InChI:
InChI=1S/C12H18BNO3/c1-8(15)9-6-10(14-7-9)13-16-11(2,3)12(4,5)17-13/h6-7,14H,1-5H3
InChI Key:
DHRASUZKQKIJHP-UHFFFAOYSA-N
SMILES:
CC(=O)c1c[nH]c(c1)B1OC(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:
235.138g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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