Methyl 7-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate - CAS 1443278-84-9
Catalog: |
BB052345 |
Product Name: |
Methyl 7-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
CAS: |
1443278-84-9 |
Synonyms: |
methyl7-(4-chlorophenyl)-5-methyl[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
IUPAC Name: | methyl 7-(4-chlorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylate |
Molecular Weight: | 302.71 |
Molecular Formula: | C14H11ClN4O2 |
Canonical SMILES: | CC1=NC2=NC(=NN2C(=C1)C3=CC=C(C=C3)Cl)C(=O)OC |
InChI: | InChI=1S/C14H11ClN4O2/c1-8-7-11(9-3-5-10(15)6-4-9)19-14(16-8)17-12(18-19)13(20)21-2/h3-7H,1-2H3 |
InChI Key: | GPMGWNNFAFBRMB-UHFFFAOYSA-N |
Purity: | 95% |
Density: | 1.5±0.1 g/cm3 |
Complexity: | 389 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.0570533 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.0570533 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 69.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3 |
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