| CAS Number | 1813552-97-4 |
| Catalog Number | AG01FFXW(AGN-PC-3H4AHL) |
| Chemical Name | Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzoate |
| IUPAC Name | methyl 4-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl]benzoate |
| InChI | InChI=1S/C21H25BO5/c1-20(2)21(3,4)27-22(26-20)17-10-12-18(13-11-17)25-14-15-6-8-16(9-7-15)19(23)24-5/h6-13H,14H2,1-5H3 |
| InChI Key | FCBOZPNRJJQOLK-UHFFFAOYSA-N |
| MDL Number | MFCD31916458 |
| Molecular Formula | C21H25BO5 |
| Molecular Weight | 368.2312 |
| SMILES | O=C(OC)C1=CC=C(COC2=CC=C(B3OC(C)(C)C(C)(C)O3)C=C2)C=C1 |
| Synonyms | 1813552-97-4,
Methyl 4-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy)methyl)benzoate,
methyl 4-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]methyl}benzoate,
AS-55491,
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| Complexity | 489 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 368.18g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 368.236g/mol |
| Monoisotopic Mass | 368.18g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 54A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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