| CAS Number | 1092349-75-1 |
| Catalog Number | AG01F3X5(AGN-PC-0WBZM2) |
| Chemical Name | 3,4-Bis(trifluoromethyl)fluorobenzene |
| IUPAC Name | 4-fluoro-1,2-bis(trifluoromethyl)benzene |
| InChI | InChI=1S/C8H3F7/c9-4-1-2-5(7(10,11)12)6(3-4)8(13,14)15/h1-3H |
| InChI Key | ITNYISOJCVKBSZ-UHFFFAOYSA-N |
| MDL Number | MFCD11100160 |
| Molecular Formula | C8H3F7 |
| Molecular Weight | 232.0982 |
| SMILES | C1=CC(=C(C(F)(F)F)C=C1F)C(F)(F)F |
| Synonyms | 4-fluoro-1,2-bis-(trifluoromethyl)benzene,
3,4-Bis(trifluoromethyl)fluorobenzene,
4-fluoro-1,2-bis(trifluoromethyl)benzene,
1092349-75-1,
SCHEMBL7601736,
CTK7B8632,
BBL100986,
STL554780,
ZINC63361018,
AKOS005255717,
TR-055225,
Y-9199,
|
| 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