| CAS Number | 211032-07-4 |
| Catalog Number | AG002L4V(AGN-PC-02C7JK) |
| Chemical Name | 4-(4-Bromophenyl)-2-(4-(trifluoromethyl)phenyl)thiazole |
| IUPAC Name | 4-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
| InChI | InChI=1S/C16H9BrF3NS/c17-13-7-3-10(4-8-13)14-9-22-15(21-14)11-1-5-12(6-2-11)16(18,19)20/h1-9H |
| InChI Key | HOEMWNULJPQTLA-UHFFFAOYSA-N |
| MDL Number | MFCD17215377 |
| Molecular Formula | C16H9BrF3NS |
| Molecular Weight | 384.2136 |
| SMILES | S1C=C(C2=CC=C(Br)C=C2)N=C1C1=CC=C(C(F)(F)F)C=C1 |
| Synonyms | 4-(4-Bromophenyl)-2-(4-(trifluoromethyl)phenyl)thiazole,
211032-07-4,
4-(4-Bromophenyl)-2-(4-(trifluoromethyl)-phenyl)thiazole,
4-(4-Bromophenyl)-2-[4-(trifluoromethyl)phenyl]thiazole,
C16H9BrF3NS,
SCHEMBL8088968,
CTK8C0474,
DTXSID00598437,
0777AB,
ANW-64728,
MFCD17215377,
ZINC66345378,
AKOS015899774,
AJ-116308,
AX8235050,
TC-153473,
FT-0762433,
I14-11439,
4-(4-bromophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole,
|
| Complexity | 363 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 382.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 384.214g/mol |
| Monoisotopic Mass | 382.959g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 41.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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