5-chloro-1H-1,2,3-triazole-4-carboxylic acid - CAS 908072-81-1
Catalog: |
BB039958 |
Product Name: |
5-chloro-1H-1,2,3-triazole-4-carboxylic acid |
CAS: |
908072-81-1 |
Synonyms: |
5-chloro-2H-triazole-4-carboxylic acid; 5-chloro-2H-triazole-4-carboxylic acid |
IUPAC Name: | 5-chloro-2H-triazole-4-carboxylic acid |
Description: | 5-chloro-1H-1,2,3-triazole-4-carboxylic acid (CAS# 908072-81-1 ) is a useful research chemical. |
Molecular Weight: | 147.518 |
Molecular Formula: | C3H2ClN3O2 |
Canonical SMILES: | C1(=NNN=C1Cl)C(=O)O |
InChI: | InChI=1S/C3H2ClN3O2/c4-2-1(3(8)9)5-7-6-2/h(H,8,9)(H,5,6,7) |
InChI Key: | RONLJTWPNUWVKD-UHFFFAOYSA-N |
LogP: | 0.15630 |
Publication Number | Title | Priority Date |
US-2021323960-A1 | Fused tri-cyclic compound as pde3/pde4 dual inhibitor | 20180713 |
WO-2014089728-A1 | 1-substituted-5-chloro-2h-1,2,3-triazole-4-carboxylate derivative and preparation method therefor | 20121214 |
EP-2558577-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
WO-2011127933-A1 | Bi-functional complexes and methods for making and using such complexes | 20100416 |
AU-2003230829-A1 | Triazole derivatives as tachykinin receptor antagonists | 20020426 |
Complexity: | 130 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.983554 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.983554 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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