| CAS Number | 647855-18-3 |
| Catalog Number | AG00IBEO(AGN-PC-0I23UD) |
| Chemical Name | Benzene, 1-methoxy-4-nitro-2-(trifluoromethoxy)- |
| IUPAC Name | 1-methoxy-4-nitro-2-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C8H6F3NO4/c1-15-6-3-2-5(12(13)14)4-7(6)16-8(9,10)11/h2-4H,1H3 |
| InChI Key | DTOWZUNDAGZRPO-UHFFFAOYSA-N |
| MDL Number | MFCD18399920 |
| Molecular Formula | C8H6F3NO4 |
| Molecular Weight | 237.1327 |
| SMILES | COC1=C(C=C(C=C1)[N+](=O)[O-])OC(F)(F)F |
| Synonyms | 647855-18-3,
1-Methoxy-4-nitro-2-(trifluoromethoxy)benzene,
4-NITRO-2-(TRIFLUOROMETHOXY)ANISOLE,
Benzene, 1-methoxy-4-nitro-2-(trifluoromethoxy)-,
SCHEMBL3550146,
CTK2A3084,
4-nitro-2-trifluoromethoxyanisole,
DTXSID70738823,
DTOWZUNDAGZRPO-UHFFFAOYSA-N,
MFCD18399920,
ZINC90548105,
TZ001146,
CS-0035556,
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| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.134g/mol |
| Monoisotopic Mass | 237.025g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number