| CAS Number | 1101842-37-8 |
| Catalog Number | AG01EKIF |
| Chemical Name | 1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxylic acid |
| IUPAC Name | 1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxylic acid |
| InChI | InChI=1S/C13H13F2NO4/c14-13(15)20-10-6-2-1-4-8(10)11(17)16-7-3-5-9(16)12(18)19/h1-2,4,6,9,13H,3,5,7H2,(H,18,19) |
| InChI Key | QTAYEQHTTYYOEZ-UHFFFAOYSA-N |
| MDL Number | MFCD02339988 |
| Molecular Formula | C13H13F2NO4 |
| Molecular Weight | 285.2434 |
| SMILES | FC(Oc1ccccc1C(=O)N1CCCC1C(=O)O)F |
| Synonyms | 1-[2-(difluoromethoxy)benzoyl]pyrrolidine-2-carboxylic acid,
AC1Q74J2,
CTK7B7505,
AKOS000152989,
AKOS017272229,
MCULE-7007153645,
NE19329,
EN300-40144,
Z85891299,
1101842-37-8,
|
| Complexity | 377 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 285.081g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 285.247g/mol |
| Monoisotopic Mass | 285.081g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number