| CAS Number | 2059913-92-5 |
| Catalog Number | AG01ABZ2 |
| Chemical Name | (1R,2R)-2-(3,4,5-Trifluorophenyl)cyclopropanecarboxylic acid |
| IUPAC Name | 2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H7F3O2/c11-7-1-4(2-8(12)9(7)13)5-3-6(5)10(14)15/h1-2,5-6H,3H2,(H,14,15) |
| InChI Key | DYBOZKSUIBJLJN-UHFFFAOYSA-N |
| MDL Number | MFCD31567278 |
| Molecular Formula | C10H7F3O2 |
| Molecular Weight | 216.1566 |
| SMILES | C(O)(=O)[C@H]1[C@@H](C1)C2=CC(F)=C(F)C(F)=C2 |
| Synonyms | 1410819-23-6,
2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid,
2-(3,4,5-Trifluorophenyl)cyclopropanecarboxylic acid,
2059913-92-5,
AKOS012376417,
NE27634,
Rac-(1R,2R)-2-(3,4,5-trifluorophenyl)cyclopropane-1-carboxylic acid,
|
| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 216.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.159g/mol |
| Monoisotopic Mass | 216.04g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number