| CAS Number | 1007128-19-9 |
| Catalog Number | AG01FOG4(AGN-PC-0WC5JI) |
| Chemical Name | 5-(4-Bromo-2-methylphenyl)-1H-tetrazole |
| IUPAC Name | 5-(4-bromo-2-methylphenyl)-2H-tetrazole |
| InChI | InChI=1S/C8H7BrN4/c1-5-4-6(9)2-3-7(5)8-10-12-13-11-8/h2-4H,1H3,(H,10,11,12,13) |
| InChI Key | VTGSBWSDRVPXSC-UHFFFAOYSA-N |
| MDL Number | MFCD09025667 |
| Molecular Formula | C8H7BrN4 |
| Molecular Weight | 239.0720 |
| SMILES | CC1=C(C=CC(=C1)Br)C2=NNN=N2 |
| Synonyms | 5-(4-BROMO-2-METHYLPHENYL)-1H-TETRAZOLE,
1007128-19-9,
SCHEMBL10254523,
CTK5I6689,
MFCD09025667,
ZINC39937519,
AKOS015835550,
TR-071478,
Z-1443,
5-(4-bromo-2-methylphenyl)-1H-1,2,3,4-tetrazole,
|
| Complexity | 178 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.076g/mol |
| Monoisotopic Mass | 237.985g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 54.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number