| CAS Number | 1314391-70-2 |
| Catalog Number | AG018S68(AGN-PC-0WORHT) |
| Chemical Name | 1-(Difluoromethyl)cyclopropane-1-carbaldehyde |
| IUPAC Name | 1-(difluoromethyl)cyclopropane-1-carbaldehyde |
| InChI | InChI=1S/C5H6F2O/c6-4(7)5(3-8)1-2-5/h3-4H,1-2H2 |
| InChI Key | FWEZHZHMCZMCFT-UHFFFAOYSA-N |
| MDL Number | MFCD20230594 |
| Molecular Formula | C5H6F2O |
| Molecular Weight | 120.0973 |
| SMILES | FC(C1(CC1)C=O)F |
| Synonyms | 1-(difluoromethyl)cyclopropane-1-carbaldehyde,
1314391-70-2,
ZINC98209972,
AKOS024194443,
NE46618,
1-(Difluoromethyl)cyclopropanecarbaldehyde,
CS-0091479,
F8887-6760,
|
| Complexity | 107 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 120.039g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 120.099g/mol |
| Monoisotopic Mass | 120.039g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 17.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number