| CAS Number | 1365271-60-8 |
| Catalog Number | AG009WWB(AGN-PC-0WNW4O) |
| Chemical Name | 1-Bromo-2-(cyclopentyloxy)-4-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-2-cyclopentyloxy-4-(trifluoromethyl)benzene |
| InChI | InChI=1S/C12H12BrF3O/c13-10-6-5-8(12(14,15)16)7-11(10)17-9-3-1-2-4-9/h5-7,9H,1-4H2 |
| InChI Key | OTYFJKCWSNICSX-UHFFFAOYSA-N |
| MDL Number | MFCD21609664 |
| Molecular Formula | C12H12BrF3O |
| Molecular Weight | 309.1223 |
| SMILES | FC(c1ccc(c(c1)OC1CCCC1)Br)(F)F |
| Synonyms | 1-BROMO-2-(CYCLOPENTYLOXY)-4-(TRIFLUOROMETHYL)BENZENE,
1365271-60-8,
C12H12BrF3O,
KM4020,
MFCD21609664,
ZINC95495711,
AKOS026672924,
V2556,
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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 | 308.002g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 309.126g/mol |
| Monoisotopic Mass | 308.002g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.7 |
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Certificate of Analysis
Lot Number