| CAS Number | 1368342-07-7 |
| Catalog Number | AG01BGG6(AGN-PC-0WOSEU) |
| Chemical Name | 2-[1-(trifluoromethyl)cyclopropyl]acetic acid |
| IUPAC Name | 2-[1-(trifluoromethyl)cyclopropyl]acetic acid |
| InChI | InChI=1S/C6H7F3O2/c7-6(8,9)5(1-2-5)3-4(10)11/h1-3H2,(H,10,11) |
| InChI Key | JWVHOPCZDUVEAV-UHFFFAOYSA-N |
| MDL Number | MFCD22067804 |
| Molecular Formula | C6H7F3O2 |
| Molecular Weight | 168.1138 |
| SMILES | FC(C1(CC1)CC(=O)O)(F)F |
| Synonyms | 2-[1-(trifluoromethyl)cyclopropyl]acetic acid,
1368342-07-7,
SCHEMBL16877059,
JWVHOPCZDUVEAV-UHFFFAOYSA-N,
ZINC82402277,
AKOS022712349,
(1-Trifluoromethyl-cyclopropyl)-acetic acid,
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| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 168.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 168.115g/mol |
| Monoisotopic Mass | 168.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
Lot Number