5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid - CAS 1315364-91-0
Catalog: |
BB069808 |
Product Name: |
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
CAS: |
1315364-91-0 |
Synonyms: |
5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid; 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylicacid |
IUPAC Name: | 5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Description: | 5-Chloropyrazolo[1,5-a]pyrimidine-3-carboxylic acid |
Molecular Weight: | 197.58 |
Molecular Formula: | C7H4ClN3O2 |
Canonical SMILES: | C1=CN2C(=C(C=N2)C(=O)O)N=C1Cl |
InChI: | InChI=1S/C7H4ClN3O2/c8-5-1-2-11-6(10-5)4(3-9-11)7(12)13/h1-3H,(H,12,13) |
InChI Key: | SAMKKKTWKGAXIC-UHFFFAOYSA-N |
Complexity: | 226 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 196.9992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 196.9992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.5Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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