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Home > Boronic Acids > 1174718-91-2
1174718-91-2 | Ethanone, 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl]-
CAS No: 1174718-91-2 Catalog No: AG000ECB MDL No:MFCD16036147
Product Description
Catalog Number:
AG000ECB
Chemical Name:
Ethanone, 1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrol-1-yl]-
CAS Number:
1174718-91-2
Molecular Formula:
C12H18BNO3
Molecular Weight:
235.0872
MDL Number:
MFCD16036147
IUPAC Name:
1-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrol-1-yl]ethanone
InChI:
InChI=1S/C12H18BNO3/c1-9(15)14-7-6-10(8-14)13-16-11(2,3)12(4,5)17-13/h6-8H,1-5H3
InChI Key:
FDBYQQRPZJRMTM-UHFFFAOYSA-N
SMILES:
CC(=O)n1ccc(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:
0
Isotope Atom Count:
0
Molecular Weight:
235.09g/mol
Monoisotopic Mass:
235.138g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
40.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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