| CAS Number | 1099597-20-2 |
| Catalog Number | AG01FCVL(AGN-PC-0WBZLU) |
| Chemical Name | 1-Fluoro-2,3-bis-(trifluoromethyl)benzene |
| IUPAC Name | 1-fluoro-2,3-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H3F7/c9-5-3-1-2-4(7(10,11)12)6(5)8(13,14)15/h1-3H |
| InChI Key | CDXIPPDZGNMJCD-UHFFFAOYSA-N |
| MDL Number | MFCD11226555 |
| Molecular Formula | C8H3F7 |
| Molecular Weight | 232.0982 |
| SMILES | C1=CC(=C(C(=C1)F)C(F)(F)F)C(F)(F)F |
| Synonyms | 1-Fluoro-2,3-bis-(trifluoromethyl)benzene,
1-fluoro-2,3-bis(trifluoromethyl)benzene,
1099597-20-2,
2,3-Bis(trifluoromethyl)fluorobenzene,
SCHEMBL7602903,
CTK7C2169,
BBL102721,
STL556527,
ZINC66329404,
AKOS005255683,
TR-055215,
Z-0053,
|
| Complexity | 216 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.012g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 232.101g/mol |
| Monoisotopic Mass | 232.012g/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