| CAS Number | 1365272-28-1 |
| Catalog Number | AG009X2J(AGN-PC-0WNW4X) |
| Chemical Name | 2-(Cyclopentyloxy)benzotrifluoride |
| IUPAC Name | 1-cyclopentyloxy-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C12H13F3O/c13-12(14,15)10-7-3-4-8-11(10)16-9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2 |
| InChI Key | WAWHKNAJAPOELT-UHFFFAOYSA-N |
| MDL Number | MFCD21609565 |
| Molecular Formula | C12H13F3O |
| Molecular Weight | 230.2262 |
| SMILES | FC(c1ccccc1OC1CCCC1)(F)F |
| Synonyms | 2-(Cyclopentyloxy)benzotrifluoride,
1365272-28-1,
MFCD21609565,
ZINC95495560,
AKOS026672963,
V2598,
C12H13F3O,
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| Complexity | 221 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.092g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.23g/mol |
| Monoisotopic Mass | 230.092g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number