2-Bromo-5-ethynylpyrimidine - CAS 1797890-53-9
Catalog: |
BB072118 |
Product Name: |
2-Bromo-5-ethynylpyrimidine |
CAS: |
1797890-53-9 |
Synonyms: |
2-BROMO-5-ETHYNYLPYRIMIDINE |
IUPAC Name: | 2-bromo-5-ethynylpyrimidine |
Molecular Weight: | 183.01 |
Molecular Formula: | C6H3BrN2 |
Canonical SMILES: | C#CC1=CN=C(N=C1)Br |
InChI: | InChI=1S/C6H3BrN2/c1-2-5-3-8-6(7)9-4-5/h1,3-4H |
InChI Key: | PDYDYVSGJWJTSU-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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 129 |
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: | 1.5 |
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