4-Bromo-2-ethynylpyridine - CAS 1196155-22-2
Catalog: |
BB072117 |
Product Name: |
4-Bromo-2-ethynylpyridine |
CAS: |
1196155-22-2 |
Synonyms: |
4-bromo-2-ethynylpyridine |
IUPAC Name: | 4-bromo-2-ethynylpyridine |
Description: | 4-Bromo-2-ethynylpyridine |
Molecular Weight: | 182.02 |
Molecular Formula: | C7H4BrN |
Canonical SMILES: | C#CC1=NC=CC(=C1)Br |
InChI: | InChI=1S/C7H4BrN/c1-2-7-5-6(8)3-4-9-7/h1,3-5H |
InChI Key: | IHWUEWABOVLRAW-UHFFFAOYSA-N |
Complexity: | 135 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 180.95271 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 180.95271 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 12.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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