2-[3-(1,2,4-Triazol-1-yl)phenyl]-1,3-dioxolane - CAS 1141669-93-3
Catalog: |
BB003317 |
Product Name: |
2-[3-(1,2,4-Triazol-1-yl)phenyl]-1,3-dioxolane |
CAS: |
1141669-93-3 |
Synonyms: |
1-[3-(1,3-dioxolan-2-yl)phenyl]-1,2,4-triazole; 1-[3-(1,3-dioxolan-2-yl)phenyl]-1,2,4-triazole |
IUPAC Name: | 1-[3-(1,3-dioxolan-2-yl)phenyl]-1,2,4-triazole |
Description: | 2-[3-(1,2,4-Triazol-1-yl)phenyl]-1,3-dioxolane (CAS# 1141669-93-3 ) is a useful research chemical. |
Molecular Weight: | 217.22 |
Molecular Formula: | C11H11N3O2 |
Canonical SMILES: | C1COC(O1)C2=CC(=CC=C2)N3C=NC=N3 |
InChI: | InChI=1S/C11H11N3O2/c1-2-9(11-15-4-5-16-11)6-10(3-1)14-8-12-7-13-14/h1-3,6-8,11H,4-5H2 |
InChI Key: | ZAJLZJMDLMGQKK-UHFFFAOYSA-N |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.085126602 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.085126602 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 49.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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