| CAS Number | 877964-24-4 |
| Catalog Number | AG019PJP |
| Chemical Name | 2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethane-1-sulfonyl fluoride |
| IUPAC Name | 2-(5-phenyltetrazol-2-yl)ethanesulfonyl fluoride |
| InChI | InChI=1S/C9H9FN4O2S/c10-17(15,16)7-6-14-12-9(11-13-14)8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChI Key | JHXUJHKVPSNZAO-UHFFFAOYSA-N |
| MDL Number | MFCD07850238 |
| Molecular Formula | C9H9FN4O2S |
| Molecular Weight | 256.2568 |
| SMILES | FS(CCN1N=C(C2=CC=CC=C2)N=N1)(=O)=O |
| Synonyms | 2-(5-phenyl-2H-tetrazol-2-yl)ethanesulfonyl fluoride,
2-(5-phenyl-2H-1,2,3,4-tetrazol-2-yl)ethane-1-sulfonyl fluoride,
877964-24-4,
AC1Q4OYW,
CTK7C3014,
AKOS000118170,
ZINC100493914,
ES-2112,
MCULE-5980413615,
NE21582,
EN300-23958,
J-506146,
775314-84-6,
923723-76-6,
|
| Complexity | 339 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.043g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.255g/mol |
| Monoisotopic Mass | 256.043g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 86.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number