Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate - CAS 1351479-04-3
Catalog: |
BB065822 |
Product Name: |
Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
CAS: |
1351479-04-3 |
Synonyms: |
Ethyl 2-(2-Bromobenzyl)thiazole-4-carboxylate; ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
IUPAC Name: | ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
Description: | Ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
Molecular Weight: | 326.2 |
Molecular Formula: | C13H12BrNO2S |
Canonical SMILES: | CCOC(=O)C1=CSC(=N1)CC2=CC=CC=C2Br |
InChI: | InChI=1S/C13H12BrNO2S/c1-2-17-13(16)11-8-18-12(15-11)7-9-5-3-4-6-10(9)14/h3-6,8H,2,7H2,1H3 |
InChI Key: | AVNINJXMPZETJD-UHFFFAOYSA-N |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 324.97721 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 324.97721 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 67.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.2 |
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