Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate - CAS 132089-38-4
Catalog: |
BB054778 |
Product Name: |
Ethyl 2-(3,5-dichlorophenyl)thiazole-4-carboxylate |
CAS: |
132089-38-4 |
Synonyms: |
2-(3,5-Dichlorophenyl)thiazole-4-carboxylic acid ethyl ester |
IUPAC Name: | ethyl 2-(3,5-dichlorophenyl)-1,3-thiazole-4-carboxylate |
Molecular Weight: | 302.18 |
Molecular Formula: | C12H9Cl2NO2S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)C2=CC(=CC(=C2)Cl)Cl |
InChI: | InChI=1S/C12H9Cl2NO2S/c1-2-17-12(16)10-6-18-11(15-10)7-3-8(13)5-9(14)4-7/h3-6H,2H2,1H3 |
InChI Key: | HVMLDBROWJVLEG-UHFFFAOYSA-N |
Boiling Point: | 432.6°C at 760 mmHg |
Purity: | 95% |
Density: | 1.4g/cm3 |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.9731051000001 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.9731051000001 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 67.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.4 |
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