4-(3-Chloro-phenyl)-thiazole-2-carboxylic acid - CAS 886367-29-9
Catalog: |
BB055577 |
Product Name: |
4-(3-Chloro-phenyl)-thiazole-2-carboxylic acid |
CAS: |
886367-29-9 |
Synonyms: |
4-(3-CHLORO-PHENYL)-THIAZOLE-2-CARBOXYLIC ACID; 4-(3-chlorophenyl)-1,3-thiazole-2-carboxylic acid; 4-(3-CHLOROPHENYL)THIAZOLE-2-CARBOXYLIC ACID |
IUPAC Name: | 4-(3-chlorophenyl)-1,3-thiazole-2-carboxylic acid |
Description: | 4-(3-Chloro-phenyl)-thiazole-2-carboxylic acid |
Molecular Weight: | 239.68 |
Molecular Formula: | C10H6ClNO2S |
Canonical SMILES: | C1=CC(=CC(=C1)Cl)C2=CSC(=N2)C(=O)O |
InChI: | InChI=1S/C10H6ClNO2S/c11-7-3-1-2-6(4-7)8-5-15-9(12-8)10(13)14/h1-5H,(H,13,14) |
InChI Key: | AGFVWFNTHIHOLZ-UHFFFAOYSA-N |
Complexity: | 252 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 238.9807773 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 238.9807773 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 78.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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