| CAS Number | 1248048-23-8 |
| Catalog Number | AG01AJY5 |
| Chemical Name | 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-ol |
| IUPAC Name | 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethanol |
| InChI | InChI=1S/C12H12BrNOS/c1-7-11(8(2)15)16-12(14-7)9-3-5-10(13)6-4-9/h3-6,8,15H,1-2H3 |
| InChI Key | QMRHMRNGDXFMPD-UHFFFAOYSA-N |
| MDL Number | MFCD16112741 |
| Molecular Formula | C12H12BrNOS |
| Molecular Weight | 298.1988 |
| SMILES | CC(C1=C(C)N=C(C2=CC=C(Br)C=C2)S1)O |
| Synonyms | 1-[2-(4-bromophenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-ol,
1248048-23-8,
1-(2-(4-bromophenyl)-4-methylthiazol-5-yl)ethanol,
AKOS011076917,
MCULE-6293624746,
NE15950,
EN300-82223,
Z1250089979,
|
| Complexity | 233 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.198g/mol |
| Monoisotopic Mass | 296.982g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
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Certificate of Analysis
Lot Number