| CAS Number | 864772-77-0 |
| Catalog Number | AG01FNT2(AGN-PC-0V5QHJ) |
| Chemical Name | 1,3,2-Dioxaborolane, 2-[2-[(3-fluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl- |
| IUPAC Name | 2-[2-[(3-fluorophenyl)methoxy]phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
| InChI | InChI=1S/C19H22BFO3/c1-18(2)19(3,4)24-20(23-18)16-10-5-6-11-17(16)22-13-14-8-7-9-15(21)12-14/h5-12H,13H2,1-4H3 |
| InChI Key | KQQZWJXJGFCHLU-UHFFFAOYSA-N |
| MDL Number | MFCD22494090 |
| Molecular Formula | C19H22BFO3 |
| Molecular Weight | 328.1856 |
| SMILES | CC(O1)(C)C(C)(C)OB1C2=CC=CC=C2OCC3=CC=CC(F)=C3 |
| Synonyms | SCHEMBL4659537,
KQQZWJXJGFCHLU-UHFFFAOYSA-N,
AS-73622,
2-(2-{[(3-fluorophenyl)methyl]oxy}phenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
2-{2-[(3-fluorophenyl)methoxy]phenyl}-4,4,5,5-tetramethyl-1,3,2-dioxaborolane,
864772-77-0,
|
| Complexity | 413 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 328.164603g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 328.2g/mol |
| Monoisotopic Mass | 328.164603g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 27.7Ų |
| 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