| CAS Number | 1226388-07-3 |
| Catalog Number | AG01BJDN |
| Chemical Name | 1-(Difluoromethoxy)-2,3-dimethylbenzene |
| IUPAC Name | 1-(difluoromethoxy)-2,3-dimethylbenzene |
| InChI | InChI=1S/C9H10F2O/c1-6-4-3-5-8(7(6)2)12-9(10)11/h3-5,9H,1-2H3 |
| InChI Key | MLNPLJDIBGXLKI-UHFFFAOYSA-N |
| MDL Number | MFCD16301405 |
| Molecular Formula | C9H10F2O |
| Molecular Weight | 172.1719 |
| SMILES | CC1=C(C)C(OC(F)F)=CC=C1 |
| Synonyms | 1-(difluoromethoxy)-2,3-dimethylbenzene,
1226388-07-3,
SCHEMBL16955002,
ZINC41168503,
AKOS022300258,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 172.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 172.175g/mol |
| Monoisotopic Mass | 172.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number