| CAS Number | 698358-91-7 |
| Catalog Number | AG00FGYZ(AGN-PC-0TWWZD) |
| Chemical Name | Methyl trans-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate; |
| IUPAC Name | methyl 1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate |
| InChI | InChI=1S/C19H20FNO2/c1-23-19(22)18-13-21(11-14-6-3-2-4-7-14)12-17(18)15-8-5-9-16(20)10-15/h2-10,17-18H,11-13H2,1H3 |
| InChI Key | GJPDRAYPGFFTGY-UHFFFAOYSA-N |
| MDL Number | MFCD13190638 |
| Molecular Formula | C19H20FNO2 |
| Molecular Weight | 313.3660 |
| SMILES | COC(=O)[C@@H]1CN(C[C@H]1c1cccc(c1)F)Cc1ccccc1 |
| Synonyms | 698358-91-7,
Methyl DL-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate,
V7360,
F1911-4073,
METHYL 1-BENZYL-4-(3-FLUOROPHENYL)PYRROLIDINE-3-CARBOXYLATE,
Methyl DL-(3R,4S)-1-benzyl-4-(3-fluorophenyl)pyrrolidine-3-carboxylate,
C19H20FNO2,
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| Complexity | 397 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.148g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.372g/mol |
| Monoisotopic Mass | 313.148g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number