| CAS Number | 16681-79-1 |
| Catalog Number | AG007DLC(AGN-PC-0NKBPO) |
| Chemical Name | 5-bromo-1-methyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-bromo-1-methyltetrazole |
| InChI | InChI=1S/C2H3BrN4/c1-7-2(3)4-5-6-7/h1H3 |
| InChI Key | MPEZKCXHVQSKLO-UHFFFAOYSA-N |
| MDL Number | MFCD18275877 |
| Molecular Formula | C2H3BrN4 |
| Molecular Weight | 162.9760 |
| SMILES | CN1C(Br)=NN=N1 |
| Synonyms | 5-bromo-1-methyl-1H-tetrazole,
16681-79-1,
1H-Tetrazole, 5-bromo-1-methyl-,
5-bromo-1-methyl-1H-1,2,3,4-tetrazole,
5-bromo-1-methyltetrazole,
SCHEMBL3281784,
CTK0A8803,
DTXSID30510142,
MPEZKCXHVQSKLO-UHFFFAOYSA-N,
ZINC39292872,
AKOS012451050,
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| Complexity | 66.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 161.954g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 7 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 162.978g/mol |
| Monoisotopic Mass | 161.954g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number