| CAS Number | 1003013-26-0 |
| Catalog Number | AG01AJL9(AGN-PC-0WOAWT) |
| Chemical Name | 2-methyl-1-(3-nitro-1H-pyrazol-1-yl)propan-2-ol |
| IUPAC Name | 2-methyl-1-(3-nitropyrazol-1-yl)propan-2-ol |
| InChI | InChI=1S/C7H11N3O3/c1-7(2,11)5-9-4-3-6(8-9)10(12)13/h3-4,11H,5H2,1-2H3 |
| InChI Key | NJRBOBSBHMHKFC-UHFFFAOYSA-N |
| MDL Number | MFCD14594920 |
| Molecular Formula | C7H11N3O3 |
| Molecular Weight | 185.1805 |
| SMILES | CC(CN1N=C([N+]([O-])=O)C=C1)(O)C |
| Synonyms | 2-methyl-1-(3-nitro-1H-pyrazol-1-yl)propan-2-ol,
1003013-26-0,
2-methyl-1-(3-nitropyrazol-1-yl)propan-2-ol,
SCHEMBL362137,
NJRBOBSBHMHKFC-UHFFFAOYSA-N,
ZINC40517240,
AKOS008147138,
MCULE-1575449790,
NE36004,
EN300-81025,
2-methyl-1-(3-nitro-pyrazol-1-yl)-propan-2-ol,
|
| Complexity | 202 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.183g/mol |
| Monoisotopic Mass | 185.08g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 83.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number