| CAS Number | 1289387-23-0 |
| Catalog Number | AG000YMU(AGN-PC-0WD00Q) |
| Chemical Name | 1-(6-Chloropyridazin-3-yl)azetidine-3-carboxylic acid |
| IUPAC Name | 1-(6-chloropyridazin-3-yl)azetidine-3-carboxylic acid |
| InChI | InChI=1S/C8H8ClN3O2/c9-6-1-2-7(11-10-6)12-3-5(4-12)8(13)14/h1-2,5H,3-4H2,(H,13,14) |
| InChI Key | JTQJFSMZIGBLBT-UHFFFAOYSA-N |
| MDL Number | MFCD18837440 |
| Molecular Formula | C8H8ClN3O2 |
| Molecular Weight | 213.6210 |
| SMILES | ClC1C=CC(=NN=1)N1CC(C(O)=O)C1 |
| Synonyms | 1289387-23-0,
1-(6-chloropyridazin-3-yl)azetidine-3-carboxylic acid,
1-(6-Chloro-pyridazin-3-yl)-azetidine-3-carboxylic acid,
SCHEMBL15379730,
DTXSID40733668,
SBB074412,
ZINC70569489,
AKOS013580047,
QC-5762,
AJ-117373,
CS-0060458,
FT-0764076,
ST24037476,
3-Azetidinecarboxylic acid, 1-(6-chloro-3-pyridazinyl)-,
1-(6-chloro-3-pyridazinyl)-3-Azetidinecarboxylic acid,
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| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.621g/mol |
| Monoisotopic Mass | 213.031g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number