| CAS Number | 1268388-19-7 |
| Catalog Number | AG01BF3K |
| Chemical Name | 4-(Difluoromethoxy)-2,5-dimethylaniline |
| IUPAC Name | 4-(difluoromethoxy)-2,5-dimethylaniline |
| InChI | InChI=1S/C9H11F2NO/c1-5-4-8(13-9(10)11)6(2)3-7(5)12/h3-4,9H,12H2,1-2H3 |
| InChI Key | MKYFTYYHWSCXLG-UHFFFAOYSA-N |
| MDL Number | MFCD18285136 |
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.1865 |
| SMILES | CC1=C(N)C=C(C)C(OC(F)F)=C1 |
| Synonyms | 4-(difluoromethoxy)-2,5-dimethylaniline,
1268388-19-7,
ZINC62997673,
AKOS012482526,
NE50276,
|
| Complexity | 166 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.19g/mol |
| Monoisotopic Mass | 187.081g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
Lot Number