| CAS Number | 1429309-32-9 |
| Catalog Number | AG00A5N2(AGN-PC-0WA53S) |
| Chemical Name | 2-(4-BROMO-5-NITRO-1H-PYRAZOL-1-YL)ETHANOL |
| IUPAC Name | 2-(4-bromo-5-nitropyrazol-1-yl)ethanol |
| InChI | InChI=1S/C5H6BrN3O3/c6-4-3-7-8(1-2-10)5(4)9(11)12/h3,10H,1-2H2 |
| InChI Key | LOQUSLBXRGRGKO-UHFFFAOYSA-N |
| MDL Number | MFCD22690744 |
| Molecular Formula | C5H6BrN3O3 |
| Molecular Weight | 236.0234 |
| SMILES | O=[N+](C1=C(Br)C=NN1CCO)[O-] |
| Synonyms | 2-(4-Bromo-5-nitro-1H-pyrazol-1-yl)ethanol,
1429309-32-9,
2-(4-BROMO-5-NITROPYRAZOL-1-YL)ETHANOL,
4-bromo-5-nitro-1H-Pyrazole-1-ethanol,
ZX-RL004154,
MFCD22690744,
ZINC95704761,
AKOS024464666,
FCH2309436,
AK161338,
OR302081,
2-(4-bromo-5-nitro-pyrazol-1-yl)ethanol,
AJ-133572,
AX8294285,
CS-0036139,
FT-0742163,
ST24039402,
2-(4-Bromo-5-nitro-1H-pyrazol-1-yl)ethanol, 95% - 1G 1g,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.959g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.025g/mol |
| Monoisotopic Mass | 234.959g/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 |
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Certificate of Analysis
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