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Home > Boronic Acids > 1309957-16-1
1309957-16-1 | [1,1'-Biphenyl]-4-carboxamide, 4'-(trans-4-pentylcyclohexyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS No: 1309957-16-1 Catalog No: AG000V84 MDL No:
Product Description
Catalog Number:
AG000V84
Chemical Name:
[1,1'-Biphenyl]-4-carboxamide, 4'-(trans-4-pentylcyclohexyl)-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-
CAS Number:
1309957-16-1
Molecular Formula:
C36H46BNO3
Molecular Weight:
551.5663
IUPAC Name:
4-[4-(4-pentylcyclohexyl)phenyl]-N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]benzamide
InChI:
InChI=1S/C36H46BNO3/c1-6-7-8-9-26-10-12-27(13-11-26)28-14-16-29(17-15-28)30-18-20-31(21-19-30)34(39)38-33-24-22-32(23-25-33)37-40-35(2,3)36(4,5)41-37/h14-27H,6-13H2,1-5H3,(H,38,39)
InChI Key:
LSTWOWOSUGCJOD-UHFFFAOYSA-N
SMILES:
CCCCC[C@@H]1CC[C@H](CC1)c1ccc(cc1)c1ccc(cc1)C(=O)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
Properties
Complexity:
797
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.357g/mol
Formal Charge:
0
Heavy Atom Count:
41
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
551.578g/mol
Monoisotopic Mass:
551.357g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
47.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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