| CAS Number | 874815-05-1 |
| Catalog Number | AG01E880(AGN-PC-0WO6ME) |
| Chemical Name | 4-bromo-2-(2H-1,2,3,4-tetrazol-5-yl)phenol |
| IUPAC Name | 4-bromo-2-(2H-tetrazol-5-yl)phenol |
| InChI | InChI=1S/C7H5BrN4O/c8-4-1-2-6(13)5(3-4)7-9-11-12-10-7/h1-3,13H,(H,9,10,11,12) |
| InChI Key | OUYCKVCLMNETIA-UHFFFAOYSA-N |
| MDL Number | MFCD06408860 |
| Molecular Formula | C7H5BrN4O |
| Molecular Weight | 241.0448 |
| SMILES | OC1=C(C2=NNN=N2)C=C(Br)C=C1 |
| Synonyms | 4-bromo-2-(2H-1,2,3,4-tetrazol-5-yl)phenol,
874815-05-1,
ZINC95218826,
AKOS026520314,
NE19267,
Z1996939100,
|
| Complexity | 182 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.048g/mol |
| Monoisotopic Mass | 239.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 74.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number