| CAS Number | 1404194-50-8 |
| Catalog Number | AG01FH7Y(AGN-PC-0WAL6B) |
| Chemical Name | 1,3-Difluoro-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1,3-difluoro-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3F5O/c8-4-1-5(9)3-6(2-4)13-7(10,11)12/h1-3H |
| InChI Key | LDNQHCRDKTWUGG-UHFFFAOYSA-N |
| MDL Number | MFCD22581043 |
| Molecular Formula | C7H3F5O |
| Molecular Weight | 198.0901 |
| SMILES | FC1=CC(OC(F)(F)F)=CC(F)=C1 |
| Synonyms | 1,3-difluoro-5-(trifluoromethoxy)benzene,
1404194-50-8,
SCHEMBL8149838,
BBL101985,
MFCD22581043,
STL555782,
ZINC95215732,
AKOS016016088,
FCH2294505,
PC501509,
Benzene, 1,?3-?difluoro-?5-?(trifluoromethoxy)?-,
Benzene,1,3-difluoro-5-(trifluoromethoxy)-,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.092g/mol |
| Monoisotopic Mass | 198.01g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number