| CAS Number | 1098389-56-0 |
| Catalog Number | AG019PSN |
| Chemical Name | 2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid |
| IUPAC Name | 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetic acid |
| InChI | InChI=1S/C8H7Cl2N3O3/c1-13(3-6(14)15)8(16)4-2-5(9)11-12-7(4)10/h2H,3H2,1H3,(H,14,15) |
| InChI Key | MHJWJQLRQWMSST-UHFFFAOYSA-N |
| MDL Number | MFCD11648827 |
| Molecular Formula | C8H7Cl2N3O3 |
| Molecular Weight | 264.0655 |
| SMILES | CN(C(C1=C(Cl)N=NC(Cl)=C1)=O)CC(O)=O |
| Synonyms | 2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid,
1098389-56-0,
N-(3,6-Dichloropyridazine-4-carbonyl)-N-methylglycine,
ZINC37438602,
AKOS008127785,
MCULE-9215967635,
NE21235,
EN300-86352,
|
| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 262.986g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.062g/mol |
| Monoisotopic Mass | 262.986g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number