| CAS Number | 188472-71-1 |
| Catalog Number | AG002GWW(AGN-PC-08XZPO) |
| Chemical Name | Benzene, 4-chloro-1-ethynyl-2-fluoro- |
| IUPAC Name | 4-chloro-1-ethynyl-2-fluorobenzene |
| InChI | InChI=1S/C8H4ClF/c1-2-6-3-4-7(9)5-8(6)10/h1,3-5H |
| InChI Key | IAEDSXZJJWHQQP-UHFFFAOYSA-N |
| MDL Number | MFCD08703530 |
| Molecular Formula | C8H4ClF |
| Molecular Weight | 154.5688 |
| SMILES | FC1=CC(Cl)=CC=C1C#C |
| Synonyms | 4-chloro-1-ethynyl-2-fluorobenzene,
188472-71-1,
4-Chloro-2-fluorophenylacetylene,
4-chloro-1-ethynyl-2-fluoro-benzene,
Benzene,4-chloro-1-ethynyl-2-fluoro-,
SCHEMBL3433277,
CTK4D9801,
DTXSID10679347,
IAEDSXZJJWHQQP-UHFFFAOYSA-N,
MFCD08703530,
ZINC58626255,
AKOS010651514,
Benzene, 4-chloro-1-ethynyl-2-fluoro-,
A18372,
A1-00879,
Z1741970718,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 153.999g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 154.568g/mol |
| Monoisotopic Mass | 153.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
| Symbol: |   |
|
Hazard Class
|
4.1
|
|
Hazard statements
|
H228-H315-H319-H335
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P210-P261
|
|
UN Code
|
UN 1325
|
Certificate of Analysis
Lot Number