Pyridazine-3-carbonitrile - CAS 53896-49-4
Catalog: |
BB028387 |
Product Name: |
Pyridazine-3-carbonitrile |
CAS: |
53896-49-4 |
Synonyms: |
pyridazine-3-carbonitrile |
IUPAC Name: | pyridazine-3-carbonitrile |
Description: | Pyridazine-3-carbonitrile (CAS# 53896-49-4) is a useful research chemical. |
Molecular Weight: | 105.10 |
Molecular Formula: | C5H3N3 |
Canonical SMILES: | C1=CC(=NN=C1)C#N |
InChI: | InChI=1S/C5H3N3/c6-4-5-2-1-3-7-8-5/h1-3H |
InChI Key: | PJESVVYWPFAJCS-UHFFFAOYSA-N |
Purity: | 97.0 % |
Appearance: | White to faint yellow to yellow or faint brown to brown powder or crystals |
MDL: | MFCD09881239 |
LogP: | 0.34828 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P312, P330, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2015090599-A1 | Fluoromethyl-substituted pyrrole carboxamides iv | 20131219 |
WO-2015090600-A1 | Fluoromethyl-substituted pyrrole carboxamides as cav2.2 calcium channel blockers | 20131219 |
WO-2015090603-A1 | Fluoromethyl-substituted pyrrole carboxamides iii | 20131219 |
EP-2923573-A1 | Method for promoting plant growth | 20121109 |
EP-2923574-A1 | Method for promoting plant growth | 20121109 |
Complexity: | 112 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 105.032697108 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 105.032697108 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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