3,6-Dichloropyridazine-4-carbonitrile - CAS 35857-93-3
Catalog: |
BB067969 |
Product Name: |
3,6-Dichloropyridazine-4-carbonitrile |
CAS: |
35857-93-3 |
Synonyms: |
3,6-Dichloropyridazine-4-carbonitrile; 4-Pyridazinecarbonitrile, 3,6-dichloro-; 4-Cyano-3,6-dichlor-pyridazin |
IUPAC Name: | 3,6-dichloropyridazine-4-carbonitrile |
Description: | 3,6-Dichloropyridazine-4-carbonitrile |
Molecular Weight: | 173.99 |
Molecular Formula: | C5HCl2N3 |
Canonical SMILES: | C1=C(C(=NN=C1Cl)Cl)C#N |
InChI: | InChI=1S/C5HCl2N3/c6-4-1-3(2-8)5(7)10-9-4/h1H |
InChI Key: | PEVHRZSJJSZRFC-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 172.9547524 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 172.9547524 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 49.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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