| CAS Number | 29765-49-9 |
| Catalog Number | AG01AV5E |
| Chemical Name | 1-{[4-(trifluoromethoxy)phenyl]methyl}cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-[[4-(trifluoromethoxy)phenyl]methyl]cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C12H11F3O3/c13-12(14,15)18-9-3-1-8(2-4-9)7-11(5-6-11)10(16)17/h1-4H,5-7H2,(H,16,17) |
| InChI Key | FTWOJOXFIDZHRY-UHFFFAOYSA-N |
| MDL Number | MFCD11848871 |
| Molecular Formula | C12H11F3O3 |
| Molecular Weight | 260.2091 |
| SMILES | OC(C1(CC1)CC1=CC=C(OC(F)(F)F)C=C1)=O |
| Synonyms | 1-{[4-(trifluoromethoxy)phenyl]methyl}cyclopropane-1-carboxylic acid,
29765-49-9,
ZINC89065448,
AKOS015152422,
NE25877,
|
| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.066g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.212g/mol |
| Monoisotopic Mass | 260.066g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
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