| CAS Number | 1094328-54-7 |
| Catalog Number | AG01AAEX(AGN-PC-0WO99P) |
| Chemical Name | 5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)tetrazole |
| InChI | InChI=1S/C9H8ClFN4/c1-6-2-3-7(11)8(4-6)15-9(5-10)12-13-14-15/h2-4H,5H2,1H3 |
| InChI Key | JUAMQYVFLLKBCM-UHFFFAOYSA-N |
| MDL Number | MFCD11134291 |
| Molecular Formula | C9H8ClFN4 |
| Molecular Weight | 226.6380 |
| SMILES | CC1=CC(N2C(CCl)=NN=N2)=C(F)C=C1 |
| Synonyms | 5-(chloromethyl)-1-(2-fluoro-5-methylphenyl)-1H-1,2,3,4-tetrazole,
1094328-54-7,
AC1Q2IT0,
ZINC36722408,
AKOS009293290,
NE51873,
EN300-68404,
|
| Complexity | 218 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.042g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.639g/mol |
| Monoisotopic Mass | 226.042g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number