| CAS Number | 1517022-05-7 |
| Catalog Number | AG01DVHV |
| Chemical Name | 2-(5-amino-4-bromo-1H-pyrazol-1-yl)ethan-1-ol |
| IUPAC Name | 2-(5-amino-4-bromopyrazol-1-yl)ethanol |
| InChI | InChI=1S/C5H8BrN3O/c6-4-3-8-9(1-2-10)5(4)7/h3,10H,1-2,7H2 |
| InChI Key | ROZVEHIAYXXIFU-UHFFFAOYSA-N |
| MDL Number | MFCD23881232 |
| Molecular Formula | C5H8BrN3O |
| Molecular Weight | 206.0405 |
| SMILES | NC1N(CCO)N=CC=1Br |
| Synonyms | 2-(5-amino-4-bromo-1H-pyrazol-1-yl)ethan-1-ol,
1517022-05-7,
AKOS018927692,
|
| Complexity | 113 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 206.043g/mol |
| Monoisotopic Mass | 204.985g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 64.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number