| CAS Number | 1214372-78-7 |
| Catalog Number | AG019CSK(AGN-PC-0WBS1D) |
| Chemical Name | 4-(Difluoromethyl)-1-fluoro-2-methylbenzene Stabilized over potassium carbonate |
| IUPAC Name | 4-(difluoromethyl)-1-fluoro-2-methylbenzene |
| InChI | InChI=1S/C8H7F3/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4,8H,1H3 |
| InChI Key | HGXKIJABACYVNC-UHFFFAOYSA-N |
| MDL Number | MFCD14698601 |
| Molecular Formula | C8H7F3 |
| Molecular Weight | 160.1364 |
| SMILES | C1(F)C=CC(C(F)F)=CC=1C |
| Synonyms | 4-(DIFLUOROMETHYL)-1-FLUORO-2-METHYLBENZENE,
1214372-78-7,
SCHEMBL8272795,
CTK7B6613,
5-(Difluoromethyl)-2-fluorotoluene,
1169AD,
ZINC66323213,
AKOS005258254,
AJ-115955,
TR-071176,
4-(Difluoromethyl)-1-fluoro-2-methylbenzene Stabilized over potassium carbonate,
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