| CAS Number | 96308-26-8 |
| Catalog Number | AG00IJSQ(AGN-PC-00MKWV) |
| Chemical Name | Benzene, 2-methyl-4-nitro-1-(2,2,2-trifluoroethoxy)- |
| IUPAC Name | 2-methyl-4-nitro-1-(2,2,2-trifluoroethoxy)benzene |
| InChI | InChI=1S/C9H8F3NO3/c1-6-4-7(13(14)15)2-3-8(6)16-5-9(10,11)12/h2-4H,5H2,1H3 |
| InChI Key | DKPXOGKKLKMSFR-UHFFFAOYSA-N |
| MDL Number | MFCD27935093 |
| Molecular Formula | C9H8F3NO3 |
| Molecular Weight | 235.1599 |
| SMILES | FC(F)(F)COC1=CC=C([N+]([O-])=O)C=C1C |
| Synonyms | 1-(Trifluoroethoxy)-2-methyl-4-nitrobenzene,
96308-26-8,
SCHEMBL2560734,
Benzene, 2-methyl-4-nitro-1-(2,2,2-trifluoroethoxy)-,
DKPXOGKKLKMSFR-UHFFFAOYSA-N,
2-methyl-4-nitro-1-(2,2,2-trifluoroethoxy)benzene,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.162g/mol |
| Monoisotopic Mass | 235.046g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number