Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate - CAS 1823783-63-6
Catalog: |
BB052465 |
Product Name: |
Ethyl 2-(3-chloro-1H-1,2,4-triazol-1-yl)acetate |
CAS: |
1823783-63-6 |
Synonyms: |
Ethyl (3-chloro-1H-1,2,4-triazol-1-yl)acetate |
IUPAC Name: | ethyl 2-(3-chloro-1,2,4-triazol-1-yl)acetate |
Molecular Weight: | 189.60 |
Molecular Formula: | C6H8ClN3O2 |
Canonical SMILES: | CCOC(=O)CN1C=NC(=N1)Cl |
InChI: | InChI=1S/C6H8ClN3O2/c1-2-12-5(11)3-10-4-8-6(7)9-10/h4H,2-3H2,1H3 |
InChI Key: | OQFQKRHVTRVQBO-UHFFFAOYSA-N |
Complexity: | 167 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 189.0305042 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 189.0305042 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 57 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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