| CAS Number | 1781654-27-0 |
| Catalog Number | AG01C065 |
| Chemical Name | (3-Bromo-1-methyl-1H-pyrazol-4-yl)methanol |
| IUPAC Name | (3-bromo-1-methylpyrazol-4-yl)methanol |
| InChI | InChI=1S/C5H7BrN2O/c1-8-2-4(3-9)5(6)7-8/h2,9H,3H2,1H3 |
| InChI Key | OUSSWGFQUVLOAV-UHFFFAOYSA-N |
| MDL Number | MFCD30535081 |
| Molecular Formula | C5H7BrN2O |
| Molecular Weight | 191.0259 |
| SMILES | OCC1=CN(C)N=C1Br |
| Synonyms | (3-bromo-1-methyl-1H-pyrazol-4-yl)methanol,
1781654-27-0,
ZINC219736438,
|
| Complexity | 101 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 189.97418g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 191.03g/mol |
| Monoisotopic Mass | 189.97418g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 38Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number