| CAS Number | 1782543-66-1 |
| Catalog Number | AG0025VN(AGN-PC-02X4VE) |
| Chemical Name | 2-(1,1-Difluoroethyl)benzaldehyde |
| IUPAC Name | 2-(1,1-difluoroethyl)benzaldehyde |
| InChI | InChI=1S/C9H8F2O/c1-9(10,11)8-5-3-2-4-7(8)6-12/h2-6H,1H3 |
| InChI Key | QZKIXYCJRKFXAE-UHFFFAOYSA-N |
| MDL Number | MFCD28519105 |
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.1560 |
| SMILES | CC(C1=C(C=O)C=CC=C1)(F)F |
| Synonyms | 2-(1,1-difluoroethyl)benzaldehyde,
1782543-66-1,
Benzaldehyde, 2-(1,1-difluoroethyl)-,
CS-0069396,
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| Complexity | 168 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 170.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 170.159g/mol |
| Monoisotopic Mass | 170.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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