| CAS Number | 1112209-24-1 |
| Catalog Number | AG00HC4E(AGN-PC-0WRA0X) |
| Chemical Name | 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde |
| IUPAC Name | 3-fluoro-5-(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)10-5-9(8-16)6-11(15)7-10/h5-8H,1-4H3 |
| InChI Key | WENPYTYJEVDZDV-UHFFFAOYSA-N |
| MDL Number | MFCD18455287 |
| Molecular Formula | C13H16BFO3 |
| Molecular Weight | 250.0737 |
| SMILES | O=CC1=CC(B2OC(C)(C)C(C)(C)O2)=CC(F)=C1 |
| Synonyms | 3-FLUORO-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZALDEHYDE,
1112209-24-1,
3-FLUORO-5-FORMYLPHENYLBORONIC ACID PINACOL ESTER,
MFCD16996301,
AKOS025293596,
ZINC169955708,
FCH2776389,
MB20441,
PC412483,
ACN-029492,
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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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