| CAS Number | 813425-70-6 |
| Catalog Number | AG00G690(AGN-PC-0OIJ5I) |
| Chemical Name | Trans (+/-) 4-(4-chlorophenyl)pyrrolidine-3-methylcarboxylate, HCl |
| IUPAC Name | methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate |
| InChI | InChI=1S/C12H14ClNO2/c1-16-12(15)11-7-14-6-10(11)8-2-4-9(13)5-3-8/h2-5,10-11,14H,6-7H2,1H3 |
| InChI Key | SFAIJGZFZQBGLO-UHFFFAOYSA-N |
| MDL Number | MFCD02089479 |
| Molecular Formula | C12H14ClNO2 |
| Molecular Weight | 239.6981 |
| SMILES | COC(=O)[C@H]1CNC[C@@H]1c1ccc(cc1)Cl |
| Synonyms | Methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate,
813425-70-6,
939758-07-3,
4-(4-chlorophenyl)-3-pyrrolidinecarboxylic acid methyl ester,
Trans-methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate,
AC1MOQET,
DTXSID00391905,
AKOS015851602,
DB-079748,
4CH-020529,
FT-0654643,
FT-0717689,
A840105,
Methyl 4-(4-chlorophenyl)-3-pyrrolidinecarboxylate,
F1911-4211,
METHYL (3R,4S)-4-(4-CHLOROPHENYL)PYRROLIDINE-3-CARBOXYLATE,
CID3373257,
(3R,4S)-Methyl 4-(4-chlorophenyl)pyrrolidine-3-carboxylate,
4-(4-Chloro-phenyl)-pyrrolidine-3-carboxylic acid methyl ester 1HCl salt,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.699g/mol |
| Monoisotopic Mass | 239.071g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 38.3A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
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Certificate of Analysis
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