| CAS Number | 883443-58-1 |
| Catalog Number | AG019RYL(AGN-PC-0VKTE1) |
| Chemical Name | trans-2-(difluoromethyl)cyclopropanecarboxylic acid |
| IUPAC Name | (1R,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C5H6F2O2/c6-4(7)2-1-3(2)5(8)9/h2-4H,1H2,(H,8,9)/t2-,3-/m1/s1 |
| InChI Key | AQPYFAYLGMEWCD-PWNYCUMCSA-N |
| MDL Number | MFCD29049332 |
| Molecular Formula | C5H6F2O2 |
| Molecular Weight | 136.0967 |
| SMILES | O=C([C@H]1[C@H](C(F)F)C1)O |
| Synonyms | trans-2-(Difluoromethyl)cyclopropanecarboxylic acid,
883443-58-1,
AKOS027461020,
ZINC104721603,
EN300-91090,
(1R,2R)-2-(difluoromethyl)cyclopropane-1-carboxylic acid,
1932447-06-7,
|
| Complexity | 135 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.034g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.098g/mol |
| Monoisotopic Mass | 136.034g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number