Methyl 6-Chloropyridazine-4-carboxylate - CAS 1093860-48-0
Catalog: |
BB002452 |
Product Name: |
Methyl 6-Chloropyridazine-4-carboxylate |
CAS: |
1093860-48-0 |
Synonyms: |
6-chloro-4-pyridazinecarboxylic acid methyl ester; methyl 6-chloropyridazine-4-carboxylate |
IUPAC Name: | methyl 6-chloropyridazine-4-carboxylate |
Description: | Methyl 6-Chloropyridazine-4-carboxylate (CAS# 1093860-48-0) is a useful research chemical. |
Molecular Weight: | 172.57 |
Molecular Formula: | C6H5ClN2O2 |
Canonical SMILES: | COC(=O)C1=CC(=NN=C1)Cl |
InChI: | InChI=1S/C6H5ClN2O2/c1-11-6(10)4-2-5(7)9-8-3-4/h2-3H,1H3 |
InChI Key: | QYQHGLKSLGUINZ-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
MDL: | MFCD16660968 |
LogP: | 0.91660 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021134004-A1 | Cyclic compounds and methods of using same | 20191227 |
WO-2021126999-A1 | Use of biomarkers in identifying patients that will be responsive to treatment with a prmt5 inhibitor | 20191217 |
US-2020347052-A1 | Inhibitors of raf kinases | 20190503 |
WO-2020227020-A1 | Inhibitors of raf kinases | 20190503 |
US-10927111-B2 | Inhibitors of RAF kinases | 20190503 |
Complexity: | 154 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.0039551 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.0039551 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 52.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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