5-(4-Chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid - CAS 1018143-17-3
Catalog: |
BB048109 |
Product Name: |
5-(4-Chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid |
CAS: |
1018143-17-3 |
Synonyms: |
[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid, 5-(4-chlorophenyl)-; 7-(4-chlorophenyl)-4-hydro-1,2,4-triazolo[1,5-a]pyrimidine-5-carboxylic acid |
IUPAC Name: | 5-(4-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid |
Description: | 5-(4-Chlorophenyl)[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid (CAS# 1018143-17-3 ) is a useful research chemical. |
Molecular Weight: | 274.66 |
Molecular Formula: | C12H7ClN4O2 |
Canonical SMILES: | C1=CC(=CC=C1C2=NC3=NC=NN3C(=C2)C(=O)O)Cl |
InChI: | InChI=1S/C12H7ClN4O2/c13-8-3-1-7(2-4-8)9-5-10(11(18)19)17-12(16-9)14-6-15-17/h1-6H,(H,18,19) |
InChI Key: | GHAAGUNVMGLILW-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 349 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.0257531999999 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.0257531999999 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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