| CAS Number | 17284-99-0 |
| Catalog Number | AG019Q31(AGN-PC-0WO6H3) |
| Chemical Name | 2-[(6-chloropyridazin-3-yl)amino]acetic acid |
| IUPAC Name | 2-[(6-chloropyridazin-3-yl)amino]acetic acid |
| InChI | InChI=1S/C6H6ClN3O2/c7-4-1-2-5(10-9-4)8-3-6(11)12/h1-2H,3H2,(H,8,10)(H,11,12) |
| InChI Key | WBBXOKRECPFAGF-UHFFFAOYSA-N |
| MDL Number | MFCD08445075 |
| Molecular Formula | C6H6ClN3O2 |
| Molecular Weight | 187.5837 |
| SMILES | OC(CNC1=NN=C(Cl)C=C1)=O |
| Synonyms | [(6-chloropyridazin-3-yl)amino]acetic acid,
2-[(6-chloropyridazin-3-yl)amino]acetic acid,
17284-99-0,
(6-Chloropyridazin-3-yl)glycine,
CTK8F2276,
AC1Q7622,
ZINC8732293,
AKOS000184766,
2-(6-chloropyridazin-3-ylamino)acetic acid,
EN300-86942,
F8889-2770,
|
| Complexity | 167 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 187.015g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 187.583g/mol |
| Monoisotopic Mass | 187.015g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number