| CAS Number | 1261583-91-8 |
| Catalog Number | AG01BRL9 |
| Chemical Name | 3-(difluoromethoxy)-5-fluoroaniline |
| IUPAC Name | 3-(difluoromethoxy)-5-fluoroaniline |
| InChI | InChI=1S/C7H6F3NO/c8-4-1-5(11)3-6(2-4)12-7(9)10/h1-3,7H,11H2 |
| InChI Key | WFLKFQDDAKBSEQ-UHFFFAOYSA-N |
| MDL Number | MFCD18385076 |
| Molecular Formula | C7H6F3NO |
| Molecular Weight | 177.1238 |
| SMILES | NC1=CC(OC(F)F)=CC(F)=C1 |
| Synonyms | 3-(difluoromethoxy)-5-fluoroaniline,
1261583-91-8,
SCHEMBL19950199,
3-Difluoromethoxy-5-fluoroaniline,
ZINC238684330,
|
| Complexity | 145 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 177.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 177.126g/mol |
| Monoisotopic Mass | 177.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number