Ethyl 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate - CAS 477872-92-7
Catalog: |
BB065785 |
Product Name: |
Ethyl 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
CAS: |
477872-92-7 |
Synonyms: |
ethyl 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate; ethyl 2-(4-chlorobenzyl)-1,3-thiazole-4-carboxylate; 1R-1529; ethyl2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
Description: | Ethyl 2-[(4-chlorophenyl)methyl]-1,3-thiazole-4-carboxylate |
Molecular Weight: | 281.76 |
Molecular Formula: | C13H12ClNO2S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)CC2=CC=C(C=C2)Cl |
InChI: | InChI=1S/C13H12ClNO2S/c1-2-17-13(16)11-8-18-12(15-11)7-9-3-5-10(14)6-4-9/h3-6,8H,2,7H2,1H3 |
InChI Key: | BJBXWUQUHVRTIS-UHFFFAOYSA-N |
Complexity: | 282 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.0277275 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.0277275 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.1 |
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