| CAS Number | 1404194-72-4 |
| Catalog Number | AG019CTV(AGN-PC-0WBS2W) |
| Chemical Name | 1,3-Difluoro-4-(trifluoromethoxy)benzene |
| IUPAC Name | 2,4-difluoro-1-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3F5O/c8-4-1-2-6(5(9)3-4)13-7(10,11)12/h1-3H |
| InChI Key | KWYSKALMBDXKKS-UHFFFAOYSA-N |
| MDL Number | MFCD22580983 |
| Molecular Formula | C7H3F5O |
| Molecular Weight | 198.0901 |
| SMILES | FC1=CC(F)=C(OC(F)(F)F)C=C1 |
| Synonyms | 2,4-difluoro-1-(trifluoromethoxy)benzene,
1404194-72-4,
1,3-Difluoro-4-(trifluoromethoxy)benzene,
SCHEMBL12566385,
MFCD22580983,
ZINC95215675,
AKOS016016079,
Z1541671949,
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| Complexity | 169 |
| 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 |
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Certificate of Analysis
Lot Number