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Home > Boronic Acids > 1256359-87-1
1256359-87-1 | N-Ethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CAS No: 1256359-87-1 Catalog No: AG009BQX MDL No:MFCD17015827
Product Description
Catalog Number:
AG009BQX
Chemical Name:
N-Ethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CAS Number:
1256359-87-1
Molecular Formula:
C16H24BNO3
Molecular Weight:
289.1777
MDL Number:
MFCD17015827
IUPAC Name:
N-ethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C16H24BNO3/c1-6-18-14(19)11-12-8-7-9-13(10-12)17-20-15(2,3)16(4,5)21-17/h7-10H,6,11H2,1-5H3,(H,18,19)
InChI Key:
LLFJROOKMUZHNQ-UHFFFAOYSA-N
SMILES:
CCNC(=O)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.185g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.182g/mol
Monoisotopic Mass:
289.185g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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