| CAS Number | 1187385-74-5 |
| Catalog Number | AG003JZ3(AGN-PC-0WNRCG) |
| Chemical Name | 4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methylbut-3-YN-2-OL |
| IUPAC Name | 4-[2-bromo-5-(trifluoromethoxy)phenyl]-2-methylbut-3-yn-2-ol |
| InChI | InChI=1S/C12H10BrF3O2/c1-11(2,17)6-5-8-7-9(3-4-10(8)13)18-12(14,15)16/h3-4,7,17H,1-2H3 |
| InChI Key | ZEYGQWWUQMQARO-UHFFFAOYSA-N |
| MDL Number | MFCD12913967 |
| Molecular Formula | C12H10BrF3O2 |
| Molecular Weight | 323.1058 |
| SMILES | Brc1ccc(cc1C#CC(O)(C)C)OC(F)(F)F |
| Synonyms | 1187385-74-5,
4-(2-BROMO-5-(TRIFLUOROMETHOXY)PHENYL)-2-METHYLBUT-3-YN-2-OL,
4-(2-Bromo-5-(trifluoromethoxy)phenyl)-2-methyl but-3-yn-2-ol,
4-[2-bromo-5-(trifluoromethoxy)phenyl]-2-methylbut-3-yn-2-ol,
ACMC-2099yh,
CTK4B0824,
DTXSID40675397,
ANW-17175,
MFCD12913967,
ZINC38537917,
AKOS015835315,
AJ-96273,
AX8255831,
TR-034241,
Z7956,
A-5262,
I14-24625,
C12H10BrF3O2,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 321.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.109g/mol |
| Monoisotopic Mass | 321.982g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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