| CAS Number | 1306604-10-3 |
| Catalog Number | AG019KU7 |
| Chemical Name | 2-chloro-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone |
| InChI | InChI=1S/C14H18ClNO3/c1-18-12-6-5-10(8-13(12)19-2)11-4-3-7-16(11)14(17)9-15/h5-6,8,11H,3-4,7,9H2,1-2H3 |
| InChI Key | SBCVXVOZSHFRJE-UHFFFAOYSA-N |
| MDL Number | MFCD18838617 |
| Molecular Formula | C14H18ClNO3 |
| Molecular Weight | 283.7506 |
| SMILES | COC1=C(OC)C=C(C2N(C(CCl)=O)CCC2)C=C1 |
| Synonyms | 2-chloro-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one,
1306604-10-3,
NE27670,
EN300-28448,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.752g/mol |
| Monoisotopic Mass | 283.098g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number