| CAS Number | 1214334-21-0 |
| Catalog Number | AG019CSL(AGN-PC-0WBS1E) |
| Chemical Name | 4-(Difluoromethyl)-2-fluoro-1-methylbenzene |
| IUPAC Name | 4-(difluoromethyl)-2-fluoro-1-methylbenzene |
| InChI | InChI=1S/C8H7F3/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4,8H,1H3 |
| InChI Key | UCOCOWUDEBTMBY-UHFFFAOYSA-N |
| MDL Number | MFCD14698598 |
| Molecular Formula | C8H7F3 |
| Molecular Weight | 160.1364 |
| SMILES | FC(c1ccc(c(c1)F)C)F |
| Synonyms | 4-(DIFLUOROMETHYL)-2-FLUORO-1-METHYLBENZENE,
1214334-21-0,
SCHEMBL8256534,
CTK7B6616,
4-(Difluoromethyl)-2-fluorotoluene,
1136AD,
BBL101368,
STL555164,
ZINC66323215,
AKOS005258277,
AJ-115957,
TR-071178,
X-3973,
C8H7F3,
|
| Complexity | 125 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 160.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 160.139g/mol |
| Monoisotopic Mass | 160.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number