| CAS Number | 1214337-46-8 |
| Catalog Number | AG019CH3(AGN-PC-0WBRP1) |
| Chemical Name | 4-Chloro-1-(difluoromethyl)-2-fluorobenzene |
| IUPAC Name | 4-chloro-1-(difluoromethyl)-2-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,7H |
| InChI Key | ZSQOIEFMDVCVEH-UHFFFAOYSA-N |
| MDL Number | MFCD14698547 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | C1(C(F)F)C=CC(Cl)=CC=1F |
| Synonyms | 4-CHLORO-1-(DIFLUOROMETHYL)-2-FLUOROBENZENE,
1214337-46-8,
CTK6G8295,
DTXSID40673313,
1143AD,
ZINC66323207,
AKOS005258241,
AJ-115949,
TR-071169,
C7H4ClF3,
|
| 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 |
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Certificate of Analysis
Lot Number