2-(3,5-Dichlorophenyl)thiazole-4-carboxylic acid - CAS 1178420-52-4
Catalog: |
BB054775 |
Product Name: |
2-(3,5-Dichlorophenyl)thiazole-4-carboxylic acid |
CAS: |
1178420-52-4 |
Synonyms: |
2-(3,5-Dichlorophenyl)thiazole-4-carboxylicacid |
IUPAC Name: | 2-(3,5-dichlorophenyl)-1,3-thiazole-4-carboxylic acid |
Molecular Weight: | 274.12 |
Molecular Formula: | C10H5Cl2NO2S |
Canonical SMILES: | C1=C(C=C(C=C1Cl)Cl)C2=NC(=CS2)C(=O)O |
InChI: | InChI=1S/C10H5Cl2NO2S/c11-6-1-5(2-7(12)3-6)9-13-8(4-16-9)10(14)15/h1-4H,(H,14,15) |
InChI Key: | PNWWAVUFGSARND-UHFFFAOYSA-N |
Purity: | 95% |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.941805 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.941805 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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