| CAS Number | 1094328-52-5 |
| Catalog Number | AG019WJD(AGN-PC-0WO9XU) |
| Chemical Name | 5-(chloromethyl)-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-(chloromethyl)-1-(2,6-dimethylphenyl)tetrazole |
| InChI | InChI=1S/C10H11ClN4/c1-7-4-3-5-8(2)10(7)15-9(6-11)12-13-14-15/h3-5H,6H2,1-2H3 |
| InChI Key | JQSXZNDTNJEIBA-UHFFFAOYSA-N |
| MDL Number | MFCD11134282 |
| Molecular Formula | C10H11ClN4 |
| Molecular Weight | 222.6741 |
| SMILES | CC1=C(N2C(CCl)=NN=N2)C(C)=CC=C1 |
| Synonyms | 5-(chloromethyl)-1-(2,6-dimethylphenyl)-1H-1,2,3,4-tetrazole,
1094328-52-5,
AC1Q2NB2,
CTK6H7095,
ZINC36379839,
AKOS009292549,
NE31910,
EN300-52159,
|
| Complexity | 204 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.067g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.676g/mol |
| Monoisotopic Mass | 222.067g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number