3-Bromo-6-ethynylpyridazine - CAS 1797130-79-0
Catalog: |
BB072115 |
Product Name: |
3-Bromo-6-ethynylpyridazine |
CAS: |
1797130-79-0 |
Synonyms: |
3-BROMO-6-ETHYNYLPYRIDAZINE |
IUPAC Name: | 3-bromo-6-ethynylpyridazine |
Molecular Weight: | 183.01 |
Molecular Formula: | C6H3BrN2 |
Canonical SMILES: | C#CC1=NN=C(C=C1)Br |
InChI: | InChI=1S/C6H3BrN2/c1-2-5-3-4-6(7)9-8-5/h1,3-4H |
InChI Key: | BWWYPJJAGCIQLQ-UHFFFAOYSA-N |
Complexity: | 137 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 181.94796 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 181.94796 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 25.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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