methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate - CAS 1394041-52-1
Catalog: |
BB008940 |
Product Name: |
methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate |
CAS: |
1394041-52-1 |
Synonyms: |
2-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetic acid methyl ester; methyl 2-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetate |
IUPAC Name: | methyl 2-(6-chloro-3-oxo-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetate |
Description: | methyl 2-{6-chloro-3-oxo-2H,3H-[1,2,4]triazolo[4,3-b]pyridazin-2-yl}acetate (CAS# 1394041-52-1) is a useful research chemical. |
Molecular Weight: | 242.619 |
Molecular Formula: | C8H7ClN4O3 |
Canonical SMILES: | COC(=O)CN1C(=O)N2C(=N1)C=CC(=N2)Cl |
InChI: | InChI=1S/C8H7ClN4O3/c1-16-7(14)4-12-8(15)13-6(11-12)3-2-5(9)10-13/h2-3H,4H2,1H3 |
InChI Key: | UDMIMFLYNLCVAL-UHFFFAOYSA-N |
Complexity: | 443 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.0206678 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.0206678 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 74.6 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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