| CAS Number | 1097874-78-6 |
| Catalog Number | AG01DRO0(AGN-PC-03WF2T) |
| Chemical Name | 1-Ethynyl-2,4,5-Trifluorobenzene |
| IUPAC Name | 1-ethynyl-2,4,5-trifluorobenzene |
| InChI | InChI=1S/C8H3F3/c1-2-5-3-7(10)8(11)4-6(5)9/h1,3-4H |
| InChI Key | GFSHMVIJBUJEKV-UHFFFAOYSA-N |
| MDL Number | MFCD11655774 |
| Molecular Formula | C8H3F3 |
| Molecular Weight | 156.1046 |
| SMILES | FC1=C(F)C=C(F)C(C#C)=C1 |
| Synonyms | 1-ethynyl-2,4,5-trifluorobenzene,
1097874-78-6,
2,4,5-Trifluorophenylacetylene,
SCHEMBL3125013,
GFSHMVIJBUJEKV-UHFFFAOYSA-N,
MFCD11655774,
ZINC62605425,
AKOS012333297,
|
| Complexity | 181 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.107g/mol |
| Monoisotopic Mass | 156.019g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number