| CAS Number | 900137-36-2 |
| Catalog Number | AG019P83 |
| Chemical Name | 2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one |
| IUPAC Name | 2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone |
| InChI | InChI=1S/C14H18ClNO3/c1-18-10-5-6-13(19-2)11(8-10)12-4-3-7-16(12)14(17)9-15/h5-6,8,12H,3-4,7,9H2,1-2H3 |
| InChI Key | RZXUCAQMZIQIRL-UHFFFAOYSA-N |
| MDL Number | MFCD08166735 |
| Molecular Formula | C14H18ClNO3 |
| Molecular Weight | 283.7506 |
| SMILES | COC1=CC(C2N(C(CCl)=O)CCC2)=C(OC)C=C1 |
| Synonyms | 2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethan-1-one,
900137-36-2,
1-(chloroacetyl)-2-(2,5-dimethoxyphenyl)pyrrolidine,
AC1Q48BW,
CTK6H5004,
SBB042745,
STL301646,
AKOS000268903,
AKOS016040149,
MCULE-9852440109,
NE38986,
UPCMLD0ENAT5621415:001,
EN300-22599,
1-[2-(2,5-dimethoxyphenyl)pyrrolidinyl]-2-chloroethan-1-one,
2-chloro-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone,
|
| 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