| CAS Number | 900572-39-6 |
| Catalog Number | AG01BUSM |
| Chemical Name | (3R)-3-(2-Chlorophenoxy)pyrrolidine |
| IUPAC Name | (3R)-3-(2-chlorophenoxy)pyrrolidine |
| InChI | InChI=1S/C10H12ClNO/c11-9-3-1-2-4-10(9)13-8-5-6-12-7-8/h1-4,8,12H,5-7H2/t8-/m1/s1 |
| InChI Key | APUWIMBTIDIKKZ-MRVPVSSYSA-N |
| MDL Number | MFCD18071678 |
| Molecular Formula | C10H12ClNO |
| Molecular Weight | 197.6614 |
| SMILES | ClC(C=CC=C1)=C1O[C@@H]2CCNC2 |
| Synonyms | (3R)-3-(2-chlorophenoxy)pyrrolidine,
900572-39-6,
SCHEMBL8271825,
ZINC14632091,
AKOS017518713,
AJ-65176,
Pyrrolidine, 3-(2-chlorophenoxy)-, (3R)-,
3-(2-chlorophenoxy)pyrrolidine,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.662g/mol |
| Monoisotopic Mass | 197.061g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number