| CAS Number | 1289385-98-3 |
| Catalog Number | AG000YL6(AGN-PC-0WD00R) |
| Chemical Name | 3-Azetidinecarboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]- |
| IUPAC Name | 1-[(6-chloropyridin-3-yl)methyl]azetidine-3-carboxylic acid |
| InChI | InChI=1S/C10H11ClN2O2/c11-9-2-1-7(3-12-9)4-13-5-8(6-13)10(14)15/h1-3,8H,4-6H2,(H,14,15) |
| InChI Key | QVULZMWLOGFMHE-UHFFFAOYSA-N |
| MDL Number | MFCD18837492 |
| Molecular Formula | C10H11ClN2O2 |
| Molecular Weight | 226.6595 |
| SMILES | O=C(C1CN(CC2=CC=C(Cl)N=C2)C1)O |
| Synonyms | 1289385-98-3,
1-((6-Chloropyridin-3-yl)methyl)azetidine-3-carboxylic acid,
1-(6-Chloro-pyridin-3-ylmethyl)-azetidine-3-carboxylic acid,
ZINC72203910,
AKOS015940376,
AK-52495,
AJ-120542,
CS-0060452,
ST24036954,
1-(6-Chloropyridin-3-ylmethyl)azetidine-3-carboxylic acid,
3-Azetidinecarboxylic acid, 1-[(6-chloro-3-pyridinyl)methyl]-,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.66g/mol |
| Monoisotopic Mass | 226.051g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 53.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -1.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number