| CAS Number | 799293-93-9 |
| Catalog Number | AG00G8MN(AGN-PC-0UFROF) |
| Chemical Name | N-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopentanecarboxamide |
| IUPAC Name | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopentanecarboxamide |
| InChI | InChI=1S/C18H26BNO3/c1-17(2)18(3,4)23-19(22-17)14-9-11-15(12-10-14)20-16(21)13-7-5-6-8-13/h9-13H,5-8H2,1-4H3,(H,20,21) |
| InChI Key | DKUBMABYGZOVHH-UHFFFAOYSA-N |
| MDL Number | MFCD22415456 |
| Molecular Formula | C18H26BNO3 |
| Molecular Weight | 315.2149 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(=O)C1CCCC1)C |
| Synonyms | N-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopentanecarboxamide,
799293-93-9,
ZINC230451117,
AS-55355,
DA-41326,
FT-0770280,
|
| Complexity | 422 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 315.201g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.22g/mol |
| Monoisotopic Mass | 315.201g/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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Certificate of Analysis
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