| CAS Number | 455267-88-6 |
| Catalog Number | AG01EKK0 |
| Chemical Name | rac-(1R,2R)-2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid, trans |
| IUPAC Name | 2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H8F2O2/c11-7-2-1-3-8(12)9(7)5-4-6(5)10(13)14/h1-3,5-6H,4H2,(H,13,14) |
| InChI Key | ALIVUKPICDOVPV-UHFFFAOYSA-N |
| MDL Number | MFCD31567277 |
| Molecular Formula | C10H8F2O2 |
| Molecular Weight | 198.1661 |
| SMILES | C1C(C1C(=O)O)C2=C(C=CC=C2F)F |
| Synonyms | 2-(2,6-difluorophenyl)cyclopropane-1-carboxylic acid,
1157561-48-2,
EN300-79424,
AKOS005260379,
MCULE-8451540687,
NE28289,
Z1270384393,
455267-88-6,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| 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 | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number