| CAS Number | 1246633-34-0 |
| Catalog Number | AG00HHR2(AGN-PC-0WQZIE) |
| Chemical Name | 2-Fluoro-6-formylphenylboronic acid pinacol ester |
| IUPAC Name | 3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H16BFO3/c1-12(2)13(3,4)18-14(17-12)11-9(8-16)6-5-7-10(11)15/h5-8H,1-4H3 |
| InChI Key | DSTFDSPZMQOKIL-UHFFFAOYSA-N |
| MDL Number | MFCD18383509 |
| Molecular Formula | C13H16BFO3 |
| Molecular Weight | 250.0737 |
| SMILES | CC1(C)OB(OC1(C)C)C1=C(F)C=CC=C1C=O |
| Synonyms | 1246633-34-0,
3-Fluoro-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
2-Fluoro-6-formylphenylboronic acid pinacol ester,
SCHEMBL12468157,
3-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.076g/mol |
| Monoisotopic Mass | 250.118g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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