| CAS Number | 885689-61-2 |
| Catalog Number | AG01AAYZ(AGN-PC-08XRY7) |
| Chemical Name | 1-(2-BROMOETHYL)-3-NITRO-1H-PYRAZOLE |
| IUPAC Name | 1-(2-bromoethyl)-3-nitropyrazole |
| InChI | InChI=1S/C5H6BrN3O2/c6-2-4-8-3-1-5(7-8)9(10)11/h1,3H,2,4H2 |
| InChI Key | PHKHRTPFEHTJFQ-UHFFFAOYSA-N |
| MDL Number | MFCD14594888 |
| Molecular Formula | C5H6BrN3O2 |
| Molecular Weight | 220.0240 |
| SMILES | [O-][N+](C1=NN(CCBr)C=C1)=O |
| Synonyms | 1-(2-bromoethyl)-3-nitro-1H-pyrazole,
885689-61-2,
AC1Q1Y8T,
ZINC40517173,
AKOS010424806,
NE30932,
EN300-69964,
|
| Complexity | 149 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 218.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 220.026g/mol |
| Monoisotopic Mass | 218.964g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
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Certificate of Analysis
Lot Number