| CAS Number | 1214372-57-2 |
| Catalog Number | AG019CH5(AGN-PC-0WBRP3) |
| Chemical Name | 2-Chloro-4-(difluoromethyl)-1-fluorobenzene |
| IUPAC Name | 2-chloro-4-(difluoromethyl)-1-fluorobenzene |
| InChI | InChI=1S/C7H4ClF3/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3,7H |
| InChI Key | XEHBLRGJWPBARX-UHFFFAOYSA-N |
| MDL Number | MFCD14698545 |
| Molecular Formula | C7H4ClF3 |
| Molecular Weight | 180.5549 |
| SMILES | C1(F)C=CC(C(F)F)=CC=1Cl |
| Synonyms | 2-CHLORO-4-(DIFLUOROMETHYL)-1-FLUOROBENZENE,
1214372-57-2,
SCHEMBL16955070,
CTK7B6615,
1168AD,
BBL101357,
STL555153,
ZINC66323214,
AKOS005258267,
AJ-115956,
TR-071177,
X-4362,
2-Chloro-4-(difluoromethyl)-1-fluorobenzene -stabilized over Potassium carbonate,
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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number