| CAS Number | 1351479-04-3 |
| Catalog Number | AG00HTWP(AGN-PC-0WNNIA) |
| Chemical Name | ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
| IUPAC Name | ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate |
| 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 |
| MDL Number | MFCD20526238 |
| Molecular Formula | C13H12BrNO2S |
| Molecular Weight | 326.2089 |
| SMILES | [Br]C1(=C(C=CC=C1)CC=2(SC=C(N=2)C(=O)OCC)) |
| Synonyms | Ethyl 2-(2-Bromobenzyl)thiazole-4-carboxylate,
1351479-04-3,
ethyl 2-[(2-bromophenyl)methyl]-1,3-thiazole-4-carboxylate,
KS-00003GUU,
MFCD20526238,
ZINC91694948,
AKOS015996790,
AS-5106,
SEL14938604,
OR346068,
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| Complexity | 290 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 324.977g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.208g/mol |
| Monoisotopic Mass | 324.977g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 67.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
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Certificate of Analysis
Lot Number