| CAS Number | 1228898-70-1 |
| Catalog Number | AG01F3XF(AGN-PC-3H490F) |
| Chemical Name | 4-Chloro-2-(difluoromethyl)-1-fluorobenzene |
| IUPAC Name | 4-chloro-2-(difluoromethyl)-1-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3,7H |
| InChI Key | CUIWMSBGEDMQLZ-UHFFFAOYSA-N |
| MDL Number | MFCD07779540 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | C1(F)C=CC(Cl)=CC=1C(F)F |
| Synonyms | 4-chloro-2-(difluoromethyl)-1-fluorobenzene,
63878-72-8,
5-CHLORO-2-FLUORO-1-(DIFLUOROMETHYL)BENZENE,
1228898-70-1,
5-Chloro-2-fluoro-1-(difluromethyl)benzene,
4-Chloro-2-(difluoromethyl)-1-fluorobenzene stabilized over potassium carbonate,
CTK5C0047,
DTXSID00673314,
BBL101500,
STL555296,
ZINC77012047,
AKOS005259538,
FT-0764015,
Z-0696,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 179.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.554g/mol |
| Monoisotopic Mass | 179.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number