2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid - CAS 736970-80-2
Catalog: |
BB069635 |
Product Name: |
2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
CAS: |
736970-80-2 |
Synonyms: |
2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid; 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylicacid |
IUPAC Name: | 2-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Description: | 2-[(2-Chlorophenyl)methyl]-1,3-thiazole-4-carboxylic acid |
Molecular Weight: | 253.7 |
Molecular Formula: | C11H8ClNO2S |
Canonical SMILES: | C1=CC=C(C(=C1)CC2=NC(=CS2)C(=O)O)Cl |
InChI: | InChI=1S/C11H8ClNO2S/c12-8-4-2-1-3-7(8)5-10-13-9(6-16-10)11(14)15/h1-4,6H,5H2,(H,14,15) |
InChI Key: | OMFQVQURJGARIG-UHFFFAOYSA-N |
Complexity: | 264 |
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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