| CAS Number | 1032527-37-9 |
| Catalog Number | AG0091ML |
| Chemical Name | 3-(1,1-difluoroethyl)benzaldehyde |
| IUPAC Name | 3-(1,1-difluoroethyl)benzaldehyde |
| InChI | InChI=1S/C9H8F2O/c1-9(10,11)8-4-2-3-7(5-8)6-12/h2-6H,1H3 |
| InChI Key | RSGLRSKNDBBXKP-UHFFFAOYSA-N |
| MDL Number | MFCD20527725 |
| Molecular Formula | C9H8F2O |
| Molecular Weight | 170.1560 |
| SMILES | O=CC1=CC=CC(C(F)(F)C)=C1 |
| Synonyms | 3-(1,1-difluoroethyl)benzaldehyde,
1032527-37-9,
SCHEMBL1111336,
RSGLRSKNDBBXKP-UHFFFAOYSA-N,
3-(1,1-Difluoro-ethyl)-benzaldehyde,
CS-0069394,
|
| 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 | 2.4 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number