| CAS Number | 1022980-26-2 |
| Catalog Number | AG01FODY(AGN-PC-0WC0BQ) |
| Chemical Name | 2-(1,1-Difluoroethyl)-1-fluoro-4-(trifluoromethyl)benzene |
| IUPAC Name | 2-(1,1-difluoroethyl)-1-fluoro-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H6F6/c1-8(11,12)6-4-5(9(13,14)15)2-3-7(6)10/h2-4H,1H3 |
| InChI Key | CRJZWEIYKUCTML-UHFFFAOYSA-N |
| MDL Number | MFCD11226715 |
| Molecular Formula | C9H6F6 |
| Molecular Weight | 228.1344 |
| SMILES | CC(C1=C(C=CC(=C1)C(F)(F)F)F)(F)F |
| Synonyms | 2-(1,1-DIFLUOROETHYL)-1-FLUORO-4-(TRIFLUOROMETHYL)BENZENE,
1022980-26-2,
SCHEMBL12214712,
CTK7C1172,
BBL100991,
STL554785,
ZINC66330551,
AKOS005256130,
TR-057143,
Y-9760,
|
| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.137g/mol |
| Monoisotopic Mass | 228.037g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number