| CAS Number | 70692-45-4 |
| Catalog Number | AG00IC3D |
| Chemical Name | 2-NITRO-4-(TRIFLUOROMETHOXY)TOLUENE |
| IUPAC Name | 1-methyl-2-nitro-4-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H6F3NO3/c1-5-2-3-6(15-8(9,10)11)4-7(5)12(13)14/h2-4H,1H3 |
| InChI Key | QQIQNKQBMWNOQV-UHFFFAOYSA-N |
| MDL Number | MFCD09954767 |
| Molecular Formula | C8H6F3NO3 |
| Molecular Weight | 221.1333 |
| SMILES | CC1=CC=C(OC(F)(F)F)C=C1[N+]([O-])=O |
| Synonyms | 2-Nitro-4-(trifluoromethoxy)toluene,
70692-45-4,
1-methyl-2-nitro-4-(trifluoromethoxy)benzene,
SCHEMBL2540815,
QQIQNKQBMWNOQV-UHFFFAOYSA-N,
MFCD09954767,
ZINC26894084,
AS-46281,
1-methyl-2-nitro-4-trifluoromethoxybenzene,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 221.03g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.135g/mol |
| Monoisotopic Mass | 221.03g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number