| CAS Number | 1138444-94-6 |
| Catalog Number | AG01FODV(AGN-PC-3H5NNL) |
| Chemical Name | 1-Chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-4-(1,1-difluoroethyl)-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C9H6ClF5/c1-8(11,12)5-2-3-7(10)6(4-5)9(13,14)15/h2-4H,1H3 |
| InChI Key | XXRFAXKQLBZEOB-UHFFFAOYSA-N |
| MDL Number | MFCD11845801 |
| Molecular Formula | C9H6ClF5 |
| Molecular Weight | 244.5890 |
| SMILES | Clc1ccc(cc1C(F)(F)F)C(F)(F)C |
| Synonyms | 1-CHLORO-4-(1,1-DIFLUOROETHYL)-2-(TRIFLUOROMETHYL)BENZENE,
1138444-94-6,
CTK6H1031,
BBL101042,
STL554836,
ZINC66330524,
AKOS005256364,
TR-057121,
Y-9382,
|
| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.007819g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.59g/mol |
| Monoisotopic Mass | 244.007819g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number