| CAS Number | 2088247-40-7 |
| Catalog Number | AG01EHB3(AGN-PC-3H45GH) |
| Chemical Name | 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| IUPAC Name | 2,6-difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| InChI | InChI=1S/C13H15BF2O3/c1-12(2)13(3,4)19-14(18-12)8-5-10(15)9(7-17)11(16)6-8/h5-7H,1-4H3 |
| InChI Key | ZYFPVORSGDORBP-UHFFFAOYSA-N |
| MDL Number | MFCD17215216 |
| Molecular Formula | C13H15BF2O3 |
| Molecular Weight | 268.0642 |
| SMILES | FC1=C(C=O)C(=CC(=C1)B1OC(C(O1)(C)C)(C)C)F |
| Synonyms | 2,6-Difluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde,
2088247-40-7,
3,5-Difluoro-4-formylphenylboronic acid, pinacol ester,
KM4154,
MFCD17215216,
AKOS027355380,
ZINC169978592,
2,6-DIFLUORO-4-(TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE,
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| Complexity | 334 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 268.108g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 268.067g/mol |
| Monoisotopic Mass | 268.108g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.5A^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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