| CAS Number | 1208078-30-1 |
| Catalog Number | AG01FF9H(AGN-PC-3H4A4M) |
| Chemical Name | 2-Methyl-3,4-difluoroanisole |
| IUPAC Name | 1,2-difluoro-4-methoxy-3-methylbenzene |
| InChI | InChI=1S/C8H8F2O/c1-5-7(11-2)4-3-6(9)8(5)10/h3-4H,1-2H3 |
| InChI Key | OUDKTHHIIZJNMU-UHFFFAOYSA-N |
| MDL Number | MFCD12922652 |
| Molecular Formula | C8H8F2O |
| Molecular Weight | 158.1453 |
| SMILES | c1(c(ccc(c1C)OC)F)F |
| Synonyms | 2-Methyl-3,4-difluoroanisole,
1208078-30-1,
3,4-Difluoro-2-methylanisole,
SCHEMBL12180281,
DTXSID70591536,
ZINC40571988,
AKOS006336454,
1,2-difluoro-4-methoxy-3-methylbenzene,
|
| Complexity | 129 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.148g/mol |
| Monoisotopic Mass | 158.054g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number