| CAS Number | 749930-90-3 |
| Catalog Number | AG01B1ZR |
| Chemical Name | {6-Bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol |
| IUPAC Name | (6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanol |
| InChI | InChI=1S/C6H5BrN4O/c7-4-1-8-6-9-5(3-12)10-11(6)2-4/h1-2,12H,3H2 |
| InChI Key | GVGKPVZXJRQKPY-UHFFFAOYSA-N |
| MDL Number | MFCD30342635 |
| Molecular Formula | C6H5BrN4O |
| Molecular Weight | 229.0341 |
| SMILES | OCC1=NN2C(N=CC(=C2)Br)=N1 |
| Synonyms | {6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl}methanol,
749930-90-3,
SCHEMBL3987997,
GVGKPVZXJRQKPY-UHFFFAOYSA-N,
AKOS024226830,
ZINC148435079,
Z2527856105,
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-methanol,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 227.965g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 229.037g/mol |
| Monoisotopic Mass | 227.965g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number