| CAS Number | 393-83-9 |
| Catalog Number | AG01EVSJ(AGN-PC-3H481G) |
| Chemical Name | 2-(Difluoromethyl)-1,4-bis(trifluoromethyl)benzene |
| IUPAC Name | 2-(difluoromethyl)-1,4-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H4F8/c10-7(11)5-3-4(8(12,13)14)1-2-6(5)9(15,16)17/h1-3,7H |
| InChI Key | MIVMCFUYTTXKBN-UHFFFAOYSA-N |
| MDL Number | MFCD03412220 |
| Molecular Formula | C9H4F8 |
| Molecular Weight | 264.1153 |
| SMILES | C1(C(F)(F)F)C=CC(C(F)(F)F)=CC=1C(F)F |
| Synonyms | 2-(difluoromethyl)-1,4-bis(trifluoromethyl)benzene,
393-83-9,
SCHEMBL7599544,
ZINC2529893,
MFCD03412220,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 264.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.118g/mol |
| Monoisotopic Mass | 264.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Certificate of Analysis
Lot Number