| CAS Number | 1233501-57-9 |
| Catalog Number | AG009XTA |
| Chemical Name | 4-ethynyl-3-fluorobenzenamine |
| IUPAC Name | 4-ethynyl-3-fluoroaniline |
| InChI | InChI=1S/C8H6FN/c1-2-6-3-4-7(10)5-8(6)9/h1,3-5H,10H2 |
| InChI Key | JSUGQYILQLIYJH-UHFFFAOYSA-N |
| MDL Number | MFCD11036455 |
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.1383 |
| SMILES | C(#C)C1=C(C=C(N)C=C1)F |
| Synonyms | 4-ethynyl-3-fluoroaniline,
1233501-57-9,
4-ethynyl-3-fluorobenzenamine,
4-Amino-2-fluorophenylacetylene,
MFCD11036455,
SCHEMBL15148277,
ZINC36533534,
AKOS006309123,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.141g/mol |
| Monoisotopic Mass | 135.048g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number