| CAS Number | 1214333-52-4 |
| Catalog Number | AG009YDW(AGN-PC-0WBS0B) |
| Chemical Name | 1-(Difluoromethoxy)-3-fluoro-2-methyl-benzene |
| IUPAC Name | 1-(difluoromethoxy)-3-fluoro-2-methylbenzene |
| InChI | InChI=1S/C8H7F3O/c1-5-6(9)3-2-4-7(5)12-8(10)11/h2-4,8H,1H3 |
| InChI Key | SJLJZJPOEVOMRT-UHFFFAOYSA-N |
| MDL Number | MFCD14698458 |
| Molecular Formula | C8H7F3O |
| Molecular Weight | 176.1358 |
| SMILES | FC(OC1=C(C(=CC=C1)F)C)F |
| Synonyms | 1-(difluoromethoxy)-3-fluoro-2-methylbenzene,
1214333-52-4,
1-(Difluoromethoxy)-3-fluoro-2-methyl-benzene,
SCHEMBL900886,
2-Difluoromethoxy-6-fluorotoluene,
1133AD,
BBL102030,
MFCD14698458,
STL555829,
ZINC47203278,
AKOS016016112,
C8H7F3O,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 176.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 176.138g/mol |
| Monoisotopic Mass | 176.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number