| CAS Number | 1881289-52-6 |
| Catalog Number | AG00I208(AGN-PC-0WR8A0) |
| Chemical Name | 1-chloro-3-propoxy-5-(trifluoromethoxy)benzene |
| IUPAC Name | 1-chloro-3-propoxy-5-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C10H10ClF3O2/c1-2-3-15-8-4-7(11)5-9(6-8)16-10(12,13)14/h4-6H,2-3H2,1H3 |
| InChI Key | HXWSFXIGFOVUPF-UHFFFAOYSA-N |
| MDL Number | MFCD29044251 |
| Molecular Formula | C10H10ClF3O2 |
| Molecular Weight | 254.6334 |
| SMILES | CCCOc1cc(cc(c1)Cl)OC(F)(F)F |
| Synonyms | 1-CHLORO-3-PROPOXY-5-(TRIFLUOROMETHOXY)BENZENE,
1881289-52-6,
SCHEMBL19427310,
ZINC261493724,
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| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 254.032g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 254.633g/mol |
| Monoisotopic Mass | 254.032g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 18.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
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Certificate of Analysis
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