| CAS Number | 847872-12-2 |
| Catalog Number | AG01BD9W(AGN-PC-009233) |
| Chemical Name | 4-Amino-3-(trifluoromethoxy)phenol |
| IUPAC Name | 4-amino-3-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C7H6F3NO2/c8-7(9,10)13-6-3-4(12)1-2-5(6)11/h1-3,12H,11H2 |
| InChI Key | AQLKYQSRRVETTR-UHFFFAOYSA-N |
| MDL Number | MFCD18390134 |
| Molecular Formula | C7H6F3NO2 |
| Molecular Weight | 193.1232 |
| SMILES | NC1=C(OC(F)(F)F)C=C(O)C=C1 |
| Synonyms | 4-amino-3-(trifluoromethoxy)phenol,
847872-12-2,
SCHEMBL4852548,
ZINC96300698,
AKOS026343856,
MCULE-2926939607,
NE47556,
Z1834278581,
CID11435469,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 193.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 193.125g/mol |
| Monoisotopic Mass | 193.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number