| CAS Number | 1259285-58-9 |
| Catalog Number | AG01FQ0H(AGN-PC-3H5P81) |
| Chemical Name | N-(4-fluorobenzyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-[(4-fluorophenyl)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| InChI | InChI=1S/C19H23BFNO2/c1-18(2)19(3,4)24-20(23-18)16-7-5-6-8-17(16)22-13-14-9-11-15(21)12-10-14/h5-12,22H,13H2,1-4H3 |
| InChI Key | AZFOERHTJPUHSK-UHFFFAOYSA-N |
| MDL Number | MFCD22572110 |
| Molecular Formula | C19H23BFNO2 |
| Molecular Weight | 327.2008 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC=CC=C2NCC3=CC=C(F)C=C3)O1 |
| Synonyms | AS-73026,
N-(4-fluorobenzyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine,
N-[(4-fluorophenyl)methyl]-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
1259285-58-9,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.180587g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.2g/mol |
| Monoisotopic Mass | 327.180587g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number