3-Chloropyridazine-4-carbonitrile - CAS 1445-56-3
Catalog: |
BB009791 |
Product Name: |
3-Chloropyridazine-4-carbonitrile |
CAS: |
1445-56-3 |
Synonyms: |
3-chloro-4-pyridazinecarbonitrile; 3-chloropyridazine-4-carbonitrile |
IUPAC Name: | 3-chloropyridazine-4-carbonitrile |
Description: | 3-Chloropyridazine-4-carbonitrile (CAS# 1445-56-3) is a useful research chemical. |
Molecular Weight: | 139.54 |
Molecular Formula: | C5H2ClN3 |
Canonical SMILES: | C1=CN=NC(=C1C#N)Cl |
InChI: | InChI=1S/C5H2ClN3/c6-5-4(3-7)1-2-8-9-5/h1-2H |
InChI Key: | GAQMHKPMJLFJPC-UHFFFAOYSA-N |
Boiling Point: | 362.935 ℃ at 760 mmHg |
Density: | 1.438 g/cm3 |
MDL: | MFCD11040160 |
LogP: | 1.00168 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019243530-A1 | Oga inhibitor compounds | 20180620 |
CN-112292381-A | OGA inhibitor compounds | 20180620 |
EP-3810612-A1 | Oga inhibitor compounds | 20180620 |
US-2021122763-A1 | Oga inhibitor compounds | 20180620 |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
Complexity: | 138 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 138.9937248 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 138.9937248 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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