| CAS Number | 1008510-87-9 |
| Catalog Number | AG01B4TW |
| Chemical Name | 1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol |
| IUPAC Name | 1-(4-bromopyrazol-1-yl)-2-methylpropan-2-ol |
| InChI | InChI=1S/C7H11BrN2O/c1-7(2,11)5-10-4-6(8)3-9-10/h3-4,11H,5H2,1-2H3 |
| InChI Key | IOUKCMFUEJBHER-UHFFFAOYSA-N |
| MDL Number | MFCD12779230 |
| Molecular Formula | C7H11BrN2O |
| Molecular Weight | 219.0790 |
| SMILES | BrC=1C=NN(C1)CC(C)(O)C |
| Synonyms | 1-(4-bromo-1H-pyrazol-1-yl)-2-methylpropan-2-ol,
1008510-87-9,
SCHEMBL15917043,
ZINC38054722,
AKOS010264814,
Z1516516959,
1-(4-Bromo-pyrazol-1-yl)-2-methyl-propan-2-ol,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.082g/mol |
| Monoisotopic Mass | 218.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 38A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number