| CAS Number | 145914-06-3 |
| Catalog Number | AG01BQ2Q(AGN-PC-07HBRP) |
| Chemical Name | 1-Nitro-2-(2,2,2-trifluoroethyl)benzene |
| IUPAC Name | 1-nitro-2-(2,2,2-trifluoroethyl)benzene |
| InChI | InChI=1S/C8H6F3NO2/c9-8(10,11)5-6-3-1-2-4-7(6)12(13)14/h1-4H,5H2 |
| InChI Key | LMUDYZWHWMEFCA-UHFFFAOYSA-N |
| MDL Number | MFCD14525517 |
| Molecular Formula | C8H6F3NO2 |
| Molecular Weight | 205.1339 |
| SMILES | [O-][N+](C1=C(CC(F)(F)F)C=CC=C1)=O |
| Synonyms | 1-NITRO-2-(2,2,2-TRIFLUOROETHYL)BENZENE,
145914-06-3,
SCHEMBL20651114,
CTK5I3909,
BBL101308,
STL555104,
ZINC66323189,
AKOS005257909,
AJ-115931,
TR-071151,
Y-9632,
|
| Complexity | 212 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.136g/mol |
| Monoisotopic Mass | 205.035g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number