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Home > Boronic Acids > 2246818-94-8
2246818-94-8 | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]Cyclohexanecarboxamide
CAS No: 2246818-94-8 Catalog No: AG01FFYC MDL No:
Product Description
Catalog Number:
AG01FFYC
Chemical Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]Cyclohexanecarboxamide
CAS Number:
2246818-94-8
Molecular Formula:
C19H28BNO3
Molecular Weight:
329.2415
IUPAC Name:
N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclohexanecarboxamide
InChI:
InChI=1S/C19H28BNO3/c1-18(2)19(3,4)24-20(23-18)15-10-12-16(13-11-15)21-17(22)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3,(H,21,22)
InChI Key:
ZUBJLQZFVOOJLR-UHFFFAOYSA-N
SMILES:
O=C(C1CCCCC1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.216g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.247g/mol
Monoisotopic Mass:
329.216g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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