| CAS Number | 1390655-10-3 |
| Catalog Number | AG00J2L6(AGN-PC-0WRAP9) |
| Chemical Name | 5-(Trifluoromethyl)-1H-tetrazole hydrate |
| IUPAC Name | 5-(trifluoromethyl)-2H-tetrazole;hydrate |
| InChI | InChI=1S/C2HF3N4.H2O/c3-2(4,5)1-6-8-9-7-1;/h(H,6,7,8,9);1H2 |
| InChI Key | YXGWPYUUBTVAEL-UHFFFAOYSA-N |
| MDL Number | MFCD00086784 |
| Molecular Formula | C2H3F3N4O |
| Molecular Weight | 156.0666 |
| SMILES | C1(NN=NN=1)C(F)(F)F.O |
| Synonyms | 5-(Trifluoromethyl)-1H-tetrazole hydrate,
1390655-10-3,
ZX-CM010017,
MFCD22666519,
5-(Trifluoromethyl)-1H-tetrazole hydrate, AldrichCPR,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 156.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 156.068g/mol |
| Monoisotopic Mass | 156.026g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number