| CAS Number | 18233-34-6 |
| Catalog Number | AG0023NP(AGN-PC-0JPCQH) |
| Chemical Name | 5-bromo-1-phenyl-1H-1,2,3,4-tetrazole |
| IUPAC Name | 5-bromo-1-phenyltetrazole |
| InChI | InChI=1S/C7H5BrN4/c8-7-9-10-11-12(7)6-4-2-1-3-5-6/h1-5H |
| InChI Key | OKBYPPLWGIVLOC-UHFFFAOYSA-N |
| MDL Number | MFCD00087236 |
| Molecular Formula | C7H5BrN4 |
| Molecular Weight | 225.0454 |
| NSC Number | 158366 |
| SMILES | BrC1N(C2=CC=CC=C2)N=NN=1 |
| Synonyms | 5-bromo-1-phenyl-1h-tetrazole,
18233-34-6,
5-bromo-1-phenyltetrazole,
1H-Tetrazole, 5-bromo-1-phenyl-,
NSC158366,
1-phenyl-5-bromotetrazole,
AC1L6I7X,
SCHEMBL3260345,
1-Phenyl-5-bromo-1H-tetrazole,
CTK4D8157,
DTXSID80303445,
OKBYPPLWGIVLOC-UHFFFAOYSA-N,
AC1Q2719,
ZINC1605959,
AKOS009456104,
NSC-158366,
5-bromo-1-phenyl-1H-tetraazole,
AR-1G7362,
CID292542,
18292-94-9,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.97g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.049g/mol |
| Monoisotopic Mass | 223.97g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 43.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number