| CAS Number | 1773507-94-0 |
| Catalog Number | AG01BTNH |
| Chemical Name | rac-(1r,2r)-2-(difluoromethyl)cyclobutane-1-carboxylic acid |
| IUPAC Name | (1S,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid |
| InChI | InChI=1S/C6H8F2O2/c7-5(8)3-1-2-4(3)6(9)10/h3-5H,1-2H2,(H,9,10)/t3-,4+/m1/s1 |
| InChI Key | CTNBXQCALVHSKS-DMTCNVIQSA-N |
| MDL Number | MFCD30737575 |
| Molecular Formula | C6H8F2O2 |
| Molecular Weight | 150.1233 |
| SMILES | FC([C@@H]1CC[C@H]1C(=O)O)F |
| Synonyms | ZINC82162981,
rac-(1R,2R)-2-(difluoromethyl)cyclobutane-1-carboxylic acid, trans,
1773507-94-0,
|
| Complexity | 147 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 150.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 150.125g/mol |
| Monoisotopic Mass | 150.049g/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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number