| CAS Number | 1214338-79-0 |
| Catalog Number | AG00M2OK(AGN-PC-3H456K) |
| Chemical Name | 5-(Difluoromethyl)-1,2,3-trifluorobenzene |
| IUPAC Name | 5-(difluoromethyl)-1,2,3-trifluorobenzene |
| InChI | InChI=1S/C7H3F5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,7H |
| InChI Key | XTNCNVRMQOSBRM-UHFFFAOYSA-N |
| MDL Number | MFCD14698644 |
| Molecular Formula | C7H3F5 |
| Molecular Weight | 182.0907 |
| SMILES | C1(F)C=C(C(F)F)C=C(F)C=1F |
| Synonyms | 5-(difluoromethyl)-1,2,3-trifluorobenzene,
1214338-79-0,
ZINC112731935,
|
| Complexity | 137 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 182.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 182.093g/mol |
| Monoisotopic Mass | 182.015g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number