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Home > Boronic Acids > 2057448-81-2
2057448-81-2 | N-cyclohexyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide
CAS No: 2057448-81-2 Catalog No: AG01DUCW MDL No:
Product Description
Catalog Number:
AG01DUCW
Chemical Name:
N-cyclohexyl-2-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)acetamide
CAS Number:
2057448-81-2
Molecular Formula:
C20H30BNO4
Molecular Weight:
359.2675
IUPAC Name:
N-cyclohexyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]acetamide
InChI:
InChI=1S/C20H30BNO4/c1-19(2)20(3,4)26-21(25-19)15-9-8-12-17(13-15)24-14-18(23)22-16-10-6-5-7-11-16/h8-9,12-13,16H,5-7,10-11,14H2,1-4H3,(H,22,23)
InChI Key:
DXKSXWLZUMICCD-UHFFFAOYSA-N
SMILES:
O=C(NC1CCCCC1)COc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
359.227g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
359.273g/mol
Monoisotopic Mass:
359.227g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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