| CAS Number | 1522117-80-1 |
| Catalog Number | AG01FRBO(AGN-PC-3H5PLN) |
| Chemical Name | 7-{[(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl]oxy}-2H-1-benzopyran-2-one CBBE |
| IUPAC Name | 7-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methoxy]chromen-2-one |
| InChI | InChI=1S/C22H23BO5/c1-21(2)22(3,4)28-23(27-21)17-9-5-15(6-10-17)14-25-18-11-7-16-8-12-20(24)26-19(16)13-18/h5-13H,14H2,1-4H3 |
| InChI Key | WGMPDMYMLBBGPT-UHFFFAOYSA-N |
| MDL Number | MFCD27978381 |
| Molecular Formula | C22H23BO5 |
| Molecular Weight | 378.2260 |
| SMILES | CC1(OB(OC1(C)C)C1=CC=C(COC2=CC=C3C=CC(OC3=C2)=O)C=C1)C |
| Synonyms | 7-((4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)oxy)-2H-chromen-2-one,
1522117-80-1,
SCHEMBL15990804,
WGMPDMYMLBBGPT-UHFFFAOYSA-N,
|
| Complexity | 592 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 378.163854g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 28 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 378.2g/mol |
| Monoisotopic Mass | 378.163854g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 54Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Lot Number