| CAS Number | 1020969-35-0 |
| Catalog Number | AG019XAR |
| Chemical Name | 5-(4-fluoro-3-methylphenyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(4-fluoro-3-methylphenyl)-2H-tetrazole |
| InChI | InChI=1S/C8H7FN4/c1-5-4-6(2-3-7(5)9)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13) |
| InChI Key | BAEILIBQGFTITB-UHFFFAOYSA-N |
| MDL Number | MFCD11155438 |
| Molecular Formula | C8H7FN4 |
| Molecular Weight | 178.1664 |
| SMILES | CC1=C(F)C=CC(C2NN=NN=2)=C1 |
| Synonyms | 5-(4-fluoro-3-methylphenyl)-1H-1,2,3,4-tetrazole,
1020969-35-0,
AC1Q2FHI,
CTK7C1182,
ZINC20074811,
AKOS000263101,
MCULE-2512650503,
NE35638,
EN300-54509,
AB01007446-01,
Z234894091,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 178.065g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 178.17g/mol |
| Monoisotopic Mass | 178.065g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number