| CAS Number | 1392059-76-5 |
| Catalog Number | AG01C3RN |
| Chemical Name | 2-Bromo-3-(trifluoromethoxy)phenol |
| IUPAC Name | 2-bromo-3-(trifluoromethoxy)phenol |
| InChI | InChI=1S/C7H4BrF3O2/c8-6-4(12)2-1-3-5(6)13-7(9,10)11/h1-3,12H |
| InChI Key | RHZXRLFTBQPFQO-UHFFFAOYSA-N |
| MDL Number | MFCD22208541 |
| Molecular Formula | C7H4BrF3O2 |
| Molecular Weight | 257.0047 |
| SMILES | OC1=C(Br)C(OC(F)(F)F)=CC=C1 |
| Synonyms | 2-Bromo-3-(trifluoromethoxy)phenol,
1392059-76-5,
ZINC72319820,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.935g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.006g/mol |
| Monoisotopic Mass | 255.935g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number