(3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid - CAS 89581-61-3
Catalog: |
BB039531 |
Product Name: |
(3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid |
CAS: |
89581-61-3 |
Synonyms: |
2-(3-chloro-6-oxopyridazin-1-yl)acetic acid |
IUPAC Name: | 2-(3-chloro-6-oxopyridazin-1-yl)acetic acid |
Description: | (3-Chloro-6-oxopyridazin-1(6H)-yl)acetic acid (CAS# 89581-61-3) is a useful research chemical. |
Molecular Weight: | 188.57 |
Molecular Formula: | C6H5ClN2O3 |
Canonical SMILES: | C1=CC(=O)N(N=C1Cl)CC(=O)O |
InChI: | InChI=1S/C6H5ClN2O3/c7-4-1-2-5(10)9(8-4)3-6(11)12/h1-2H,3H2,(H,11,12) |
InChI Key: | NJHHVYWIVRTAAP-UHFFFAOYSA-N |
Boiling Point: | 373.1 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.6 g/cm3 |
MDL: | MFCD06260675 |
LogP: | -0.01870 |
Publication Number | Title | Priority Date |
US-2020270202-A1 | Potent inhibitors of aspartate n-acetyl-transferase for the treatment of canavan disease | 20160328 |
CA-2952541-A1 | Pyridazones and triazinones for the treatment and prophylaxis of hepatitis b virus infection | 20140814 |
CA-2952541-C | Pyridazones and triazinones for the treatment and prophylaxis of hepatitis b virus infection | 20140814 |
EP-3180319-A1 | Novel pyridazones and triazinones for the treatment and prophylaxis of hepatitis b virus infection | 20140814 |
EP-3180319-B1 | Novel pyridazones and triazinones for the treatment and prophylaxis of hepatitis b virus infection | 20140814 |
Complexity: | 285 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.9988697 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.9988697 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 70 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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