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Home > Boronic Acids > 1256359-91-7
1256359-91-7 | N-Propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CAS No: 1256359-91-7 Catalog No: AG009BQY MDL No:MFCD17015830
Product Description
Catalog Number:
AG009BQY
Chemical Name:
N-Propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
CAS Number:
1256359-91-7
Molecular Formula:
C17H26BNO3
Molecular Weight:
303.2042
MDL Number:
MFCD17015830
IUPAC Name:
N-propyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]acetamide
InChI:
InChI=1S/C17H26BNO3/c1-6-10-19-15(20)12-13-8-7-9-14(11-13)18-21-16(2,3)17(4,5)22-18/h7-9,11H,6,10,12H2,1-5H3,(H,19,20)
InChI Key:
COCJCWKEPWIAFJ-UHFFFAOYSA-N
SMILES:
CCCNC(=O)Cc1cccc(c1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.201g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
303.209g/mol
Monoisotopic Mass:
303.201g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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