| CAS Number | 1000932-43-3 |
| Catalog Number | AG019LEE(AGN-PC-0WO12H) |
| Chemical Name | 2-(2-Bromoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| IUPAC Name | 2-(2-bromoethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one |
| InChI | InChI=1S/C8H8BrN3O/c9-4-6-12-8(13)11-5-2-1-3-7(11)10-12/h1-3,5H,4,6H2 |
| InChI Key | GPDBWVRDLHOYHR-UHFFFAOYSA-N |
| MDL Number | MFCD09803820 |
| Molecular Formula | C8H8BrN3O |
| Molecular Weight | 242.0726 |
| SMILES | O=C1N(CCBr)N=C2C=CC=CN21 |
| Synonyms | 2-(2-bromoethyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one,
1000932-43-3,
2-(2-bromoethyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one,
SCHEMBL20456303,
CTK5J0342,
ZINC12759537,
AKOS000169270,
MCULE-4924817954,
NE40502,
EN300-30970,
AC1Q27YJ,
|
| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.98507g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 242.07g/mol |
| Monoisotopic Mass | 240.98507g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.9Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number