| CAS Number | 1289387-13-8 |
| Catalog Number | AG000YN0(AGN-PC-0WD00L) |
| Chemical Name | 1-(5-Fluoro-pyrimidin-2-yl)-azetidine-3-carboxylic acid |
| IUPAC Name | 1-(5-fluoropyrimidin-2-yl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C8H8FN3O2/c9-6-1-10-8(11-2-6)12-3-5(4-12)7(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChI Key | CWWQJGFDOQLIQC-UHFFFAOYSA-N |
| MDL Number | MFCD18837436 |
| Molecular Formula | C8H8FN3O2 |
| Molecular Weight | 197.1664 |
| SMILES | OC(C1CN(C2=NC=C(F)C=N2)C1)=O |
| Synonyms | 1-(5-fluoropyrimidin-2-yl)azetidine-3-carboxylic acid,
1289387-13-8,
1-(5-Fluoro-pyrimidin-2-yl)-azetidine-3-carboxylic acid,
DTXSID20733666,
SBB074409,
ZINC72203825,
AKOS015940808,
QC-7185,
AJ-120457,
CS-0060279,
ST24037444,
F2158-1842,
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| Complexity | 225 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 197.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.169g/mol |
| Monoisotopic Mass | 197.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.1 |
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Certificate of Analysis
Lot Number