| CAS Number | 1932284-81-5 |
| Catalog Number | AG01BICJ |
| Chemical Name | (1r,3r)-3-fluoro-1-phenylcyclobutane-1-carboxylic acid |
| IUPAC Name | 3-fluoro-1-phenylcyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C11H11FO2/c12-9-6-11(7-9,10(13)14)8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,14) |
| InChI Key | BHENDRRGGBDHDW-UHFFFAOYSA-N |
| MDL Number | MFCD30734166 |
| Molecular Formula | C11H11FO2 |
| Molecular Weight | 194.2022 |
| SMILES | OC([C@]1(C2=CC=CC=C2)C[C@@H](F)C1)=O |
| Synonyms | 3-fluoro-1-phenylcyclobutane-1-carboxylic acid,
(1r,3r)-3-fluoro-1-phenylcyclobutane-1-carboxylic acid,
1552638-76-2,
1932284-81-5,
ZINC96509159,
AKOS023600048,
AKOS034819978,
ZINC307153865,
Z2805897478,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.205g/mol |
| Monoisotopic Mass | 194.074g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number