Ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat - CAS 99951-90-3
Catalog: |
BB063292 |
Product Name: |
Ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat |
CAS: |
99951-90-3 |
Synonyms: |
Ethyl 5-chloro[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate; ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate; ETHYL 5-CHLORO-[1,2,4]TRIAZOLO[4,3-A]PYRIMIDINE-7-CARBOXYLAT; Ethyl5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylat |
IUPAC Name: | ethyl 5-chloro-[1,2,4]triazolo[4,3-a]pyrimidine-7-carboxylate |
Molecular Weight: | 226.62 |
Molecular Formula: | C8H7ClN4O2 |
Canonical SMILES: | CCOC(=O)C1=NC2=NN=CN2C(=C1)Cl |
InChI: | InChI=1S/C8H7ClN4O2/c1-2-15-7(14)5-3-6(9)13-4-10-12-8(13)11-5/h3-4H,2H2,1H3 |
InChI Key: | WHOZJESYNNZNSN-UHFFFAOYSA-N |
Complexity: | 253 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 226.0257532 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 226.0257532 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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