| CAS Number | 1259285-59-0 |
| Catalog Number | AG01FFYI(AGN-PC-3H4AI7) |
| Chemical Name | N-(4-fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline |
| IUPAC Name | N-[(4-fluorophenyl)methyl]-3-(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)15-6-5-7-17(12-15)22-13-14-8-10-16(21)11-9-14/h5-12,22H,13H2,1-4H3 |
| InChI Key | PGDIEPGSBRVPRO-UHFFFAOYSA-N |
| MDL Number | MFCD30296976 |
| Molecular Formula | C19H23BFNO2 |
| Molecular Weight | 327.2008 |
| SMILES | CC1(C)C(C)(C)OB(C2=CC(NCC3=CC=C(F)C=C3)=CC=C2)O1 |
| Synonyms | 1259285-59-0,
AS-55510,
N-(4-fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
N-(4-fluorobenzyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenamine,
N-[(4-fluorophenyl)methyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline,
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| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.181g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 327.206g/mol |
| Monoisotopic Mass | 327.181g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number