| CAS Number | 115812-34-5 |
| Catalog Number | AG01EQSW(AGN-PC-03LAVT) |
| Chemical Name | 1-Chloro-2,4-difluoro-5-(trifluoromethyl)benzene |
| IUPAC Name | 1-chloro-2,4-difluoro-5-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2ClF5/c8-4-1-3(7(11,12)13)5(9)2-6(4)10/h1-2H |
| InChI Key | DEURDGHYJUPYGR-UHFFFAOYSA-N |
| MDL Number | MFCD18415568 |
| Molecular Formula | C7H2ClF5 |
| Molecular Weight | 216.5358 |
| SMILES | C1(Cl)C=C(C(F)(F)F)C(F)=CC=1F |
| Synonyms | 1-Chloro-2,4-difluoro-5-(trifluoromethyl)benzene,
115812-34-5,
SCHEMBL9628313,
MFCD18415568,
3-Chloro-4,6-difluorobenzotrifluoride,
5-Chloro-2,4-difluorobenzotrifluoride,
ZINC163698365,
|
| Complexity | 180 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 215.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.535g/mol |
| Monoisotopic Mass | 215.977g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number