| CAS Number | 1010422-58-8 |
| Catalog Number | AG01FSKZ(AGN-PC-3H607H) |
| Chemical Name | 5-Ethynyl-2-fluoroaniline |
| IUPAC Name | 5-ethynyl-2-fluoroaniline |
| InChI | InChI=1S/C8H6FN/c1-2-6-3-4-7(9)8(10)5-6/h1,3-5H,10H2 |
| InChI Key | NTSDAICHQULLSI-UHFFFAOYSA-N |
| MDL Number | MFCD11036139 |
| Molecular Formula | C8H6FN |
| Molecular Weight | 135.1383 |
| SMILES | NC1=CC(C#C)=CC=C1F |
| Synonyms | 5-ethynyl-2-fluoroaniline,
1010422-58-8,
5-Ethynyl-2-fluoro-phenylamine,
SCHEMBL14482193,
DTXSID80669735,
NTSDAICHQULLSI-UHFFFAOYSA-N,
ZINC39325989,
AKOS006307015,
AK00739606,
A1-04416,
|
| Complexity | 158 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 135.048427g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 135.14g/mol |
| Monoisotopic Mass | 135.048427g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number