2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid - CAS 1098389-56-0
Catalog: |
BB002555 |
Product Name: |
2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid |
CAS: |
1098389-56-0 |
Synonyms: |
2-[[(3,6-dichloro-4-pyridazinyl)-oxomethyl]-methylamino]acetic acid; 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetic acid |
IUPAC Name: | 2-[(3,6-dichloropyridazine-4-carbonyl)-methylamino]acetic acid |
Description: | 2-[1-(3,6-dichloropyridazin-4-yl)-N-methylformamido]acetic acid (CAS# 1098389-56-0) is a useful research chemical. |
Molecular Weight: | 264.062 |
Molecular Formula: | C8H7Cl2N3O3 |
Canonical SMILES: | CN(CC(=O)O)C(=O)C1=CC(=NN=C1Cl)Cl |
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 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.9864465 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.9864465 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 83.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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