| CAS Number | 17285-00-6 |
| Catalog Number | AG019LJV(AGN-PC-0WO83K) |
| Chemical Name | 2-[(6-chloropyridazin-3-yl)(methyl)amino]acetic acid |
| IUPAC Name | 2-[(6-chloropyridazin-3-yl)-methylamino]acetic acid |
| InChI | InChI=1S/C7H8ClN3O2/c1-11(4-7(12)13)6-3-2-5(8)9-10-6/h2-3H,4H2,1H3,(H,12,13) |
| InChI Key | DKHGVAYHAZQICB-UHFFFAOYSA-N |
| MDL Number | MFCD09815614 |
| Molecular Formula | C7H8ClN3O2 |
| Molecular Weight | 201.6103 |
| SMILES | CN(C1=NN=C(Cl)C=C1)CC(O)=O |
| Synonyms | 2-[(6-CHLOROPYRIDAZIN-3-YL)(METHYL)AMINO]ACETIC ACID,
17285-00-6,
N-(6-Chloropyridazin-3-yl)-N-methylglycine,
[(6-chloropyridazin-3-yl)(methyl)amino]acetic acid,
AC1Q3XA5,
CTK6H9801,
ZINC12896203,
AKOS000161637,
MCULE-5466151390,
NE40305,
EN300-31508,
Z335451402,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 201.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 201.61g/mol |
| Monoisotopic Mass | 201.031g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number