| CAS Number | 1432680-43-7 |
| Catalog Number | AG01A4ZL(AGN-PC-0WO96I) |
| Chemical Name | 1-[(benzyloxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid |
| IUPAC Name | 3-fluoro-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid |
| InChI | InChI=1S/C13H14FNO4/c14-13(11(16)17)6-7-15(9-13)12(18)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,16,17) |
| InChI Key | ASWSLWVUHJVOIR-UHFFFAOYSA-N |
| MDL Number | MFCD24369189 |
| Molecular Formula | C13H14FNO4 |
| Molecular Weight | 267.2530 |
| SMILES | C(C1=CC=CC=C1)OC(=O)N1CC(CC1)(C(=O)O)F |
| Synonyms | 1-[(benzyloxy)carbonyl]-3-fluoropyrrolidine-3-carboxylic acid,
1432680-43-7,
AKOS026729043,
MCULE-9051654748,
NE44966,
Z1623864137,
|
| Complexity | 357 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 267.091g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 267.256g/mol |
| Monoisotopic Mass | 267.091g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.8A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
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