| CAS Number | 1955548-02-3 |
| Catalog Number | AG019PSH |
| Chemical Name | rac-(1R,2R)-2-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid |
| IUPAC Name | (1R,2R)-2-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8F2O2/c11-8-3-1-2-5(9(8)12)6-4-7(6)10(13)14/h1-3,6-7H,4H2,(H,13,14)/t6-,7+/m0/s1 |
| InChI Key | DMOJFERUHBBKLX-NKWVEPMBSA-N |
| MDL Number | MFCD31567274 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | OC([C@H]1[C@H](C2=C(F)C(F)=CC=C2)C1)=O |
| Synonyms | EN300-86339,
1955548-02-3,
ZINC71372562,
AKOS034813949,
Z2510259351,
(1R,2R)-2-(2,3-difluorophenyl)cyclopropane-1-carboxylic acid,
|
| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 198.169g/mol |
| Monoisotopic Mass | 198.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number