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1256359-81-5

1256359-81-5 | Benzeneacetamide, N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-

CAS No: 1256359-81-5 Catalog No: AG000O73 MDL No:MFCD16618969

Product Description

Catalog Number:
AG000O73
Chemical Name:
Benzeneacetamide, N,N-diethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-
CAS Number:
1256359-81-5
Molecular Formula:
C18H28BNO3
Molecular Weight:
317.2308
MDL Number:
MFCD16618969
IUPAC Name:
N,N-diethyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C18H28BNO3/c1-7-20(8-2)16(21)13-14-9-11-15(12-10-14)19-22-17(3,4)18(5,6)23-19/h9-12H,7-8,13H2,1-6H3
InChI Key:
XFMWOIRMWAXDPY-UHFFFAOYSA-N
SMILES:
CCN(C(=O)Cc1ccc(cc1)B1OC(C(O1)(C)C)(C)C)CC

Properties

Complexity:
397  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.216g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.236g/mol
Monoisotopic Mass:
317.216g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
38.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0

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