| CAS Number | 1393442-50-6 |
| Catalog Number | AG009X0B(AGN-PC-0WABBW) |
| Chemical Name | 5-Chloro-6-fluoro-[1,2,3,4]tetrazolo[1,5-a]pyridine-8-carbonitrile |
| IUPAC Name | 5-chloro-6-fluorotetrazolo[1,5-a]pyridine-8-carbonitrile |
| InChI | InChI=1S/C6HClFN5/c7-5-4(8)1-3(2-9)6-10-11-12-13(5)6/h1H |
| InChI Key | ISZCKYJNQBZCPH-UHFFFAOYSA-N |
| MDL Number | MFCD22383770 |
| Molecular Formula | C6HClFN5 |
| Molecular Weight | 197.5570 |
| SMILES | N#Cc1cc(F)c(n2c1nnn2)Cl |
| Synonyms | 5-Chloro-6-fluoro-[1,2,3,4]tetrazolo[1,5-a]pyridine-8-carbonitrile,
1393442-50-6,
C6HClFN5,
ZINC95495957,
V2956,
B-9834,
|
| Complexity | 253 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.99g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 197.557g/mol |
| Monoisotopic Mass | 196.99g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 66.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number