5-chloro-1-ethyl-1H-1,2,3-triazole-4-carboxylic acid - CAS 1432747-14-2
Catalog: |
BB009540 |
Product Name: |
5-chloro-1-ethyl-1H-1,2,3-triazole-4-carboxylic acid |
CAS: |
1432747-14-2 |
Synonyms: |
5-chloro-1-ethyl-4-triazolecarboxylic acid; 5-chloro-1-ethyltriazole-4-carboxylic acid |
IUPAC Name: | 5-chloro-1-ethyltriazole-4-carboxylic acid |
Description: | 5-chloro-1-ethyl-1H-1,2,3-triazole-4-carboxylic acid (CAS# 1432747-14-2 ) is a useful research chemical. |
Molecular Weight: | 175.572 |
Molecular Formula: | C5H6ClN3O2 |
Canonical SMILES: | CCN1C(=C(N=N1)C(=O)O)Cl |
InChI: | InChI=1S/C5H6ClN3O2/c1-2-9-4(6)3(5(10)11)7-8-9/h2H2,1H3,(H,10,11) |
InChI Key: | LZGMBRCASJZFKT-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.0148541 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.0148541 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 68 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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