| CAS Number | 942615-18-1 |
| Catalog Number | AG01A6FP |
| Chemical Name | 3,5-difluoro-4-isopropoxyaniline |
| IUPAC Name | 3,5-difluoro-4-propan-2-yloxyaniline |
| InChI | InChI=1S/C9H11F2NO/c1-5(2)13-9-7(10)3-6(12)4-8(9)11/h3-5H,12H2,1-2H3 |
| InChI Key | MNLSBZZWIGRXAM-UHFFFAOYSA-N |
| MDL Number | MFCD12822041 |
| Molecular Formula | C9H11F2NO |
| Molecular Weight | 187.1865 |
| SMILES | CC(OC1=C(F)C=C(N)C=C1F)C |
| Synonyms | 3,5-Difluoro-4-isopropoxyaniline,
942615-18-1,
3,5-difluoro-4-(propan-2-yloxy)aniline,
SCHEMBL1496790,
ZINC38040316,
3,5-Difluoro-4-isopropoxybenzenamine,
AKOS010243293,
KS-8286,
NE26275,
AJ-94453,
|
| Complexity | 154 |
| 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 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number