2-(4-Chlorobenzyl)thiazole-4-carboxylic acid - CAS 477872-93-8
Catalog: |
BB062475 |
Product Name: |
2-(4-Chlorobenzyl)thiazole-4-carboxylic acid |
CAS: |
477872-93-8 |
Synonyms: |
2-(4-chlorobenzyl)-1,3-thiazole-4-carboxylic acid; 2-(4-Chlorobenzyl)thiazole-4-carboxylic acid; 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic Acid |
IUPAC Name: | 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Description: | 2-(4-Chlorobenzyl)thiazole-4-carboxylic acid |
Molecular Weight: | 253.71 |
Molecular Formula: | C11H8ClNO2S |
Canonical SMILES: | C1=CC(=CC=C1CC2=NC(=CS2)C(=O)O)Cl |
InChI: | InChI=1S/C11H8ClNO2S/c12-8-3-1-7(2-4-8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
InChI Key: | OSEQLEYPYMSQBU-UHFFFAOYSA-N |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
EP-2148868-A1 | Novel aromatic heterocyclic carboxylic acid amide derivatives useful as potassium channel modulators | 20070515 |
JP-2010526850-A | Novel aromatic heterocyclic carboxylic acid amide derivatives useful as potassium channel regulators | 20070515 |
US-2010137312-A1 | Novel aromatic heterocyclic carboxylic acid amide derivatives useful as potassium channel modulators | 20070515 |
WO-2008138917-A1 | Novel aromatic heterocyclic carboxylic acid amide derivatives useful as potassium channel modulators | 20070515 |
Complexity: | 256 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.9964274 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.9964274 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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