| CAS Number | 1211528-74-3 |
| Catalog Number | AG01F5NA(AGN-PC-3H493P) |
| Chemical Name | 4-Ethynyl-1-fluoro-2-nitrobenzene |
| IUPAC Name | 4-ethynyl-1-fluoro-2-nitrobenzene |
| InChI | InChI=1S/C8H4FNO2/c1-2-6-3-4-7(9)8(5-6)10(11)12/h1,3-5H |
| InChI Key | NBVVOAKCJRYIAV-UHFFFAOYSA-N |
| MDL Number | MFCD11618093 |
| Molecular Formula | C8H4FNO2 |
| Molecular Weight | 165.1213 |
| SMILES | FC1=C(C=C(C=C1)C#C)[N+](=O)[O-] |
| Synonyms | 4-ethynyl-1-fluoro-2-nitrobenzene,
4-Fluoro-3-nitrophenylacetylene,
1211528-74-3,
SCHEMBL2372334,
NBVVOAKCJRYIAV-UHFFFAOYSA-N,
MFCD11618093,
ZINC36533580,
AKOS006315555,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.023g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.123g/mol |
| Monoisotopic Mass | 165.023g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number