| CAS Number | 1240574-64-4 |
| Catalog Number | AG009X6B(AGN-PC-0WNOE4) |
| Chemical Name | 1-Butyl-4-nitropyrazole |
| IUPAC Name | 1-butyl-4-nitropyrazole |
| InChI | InChI=1S/C7H11N3O2/c1-2-3-4-9-6-7(5-8-9)10(11)12/h5-6H,2-4H2,1H3 |
| InChI Key | CQFDLUGTBUUXMU-UHFFFAOYSA-N |
| MDL Number | MFCD16810712 |
| Molecular Formula | C7H11N3O2 |
| Molecular Weight | 169.1811 |
| SMILES | [O-][N+](=O)c1cn(nc1)CCCC |
| Synonyms | 1-butyl-4-nitropyrazole,
1-Butyl-4-nitro-1H-pyrazole,
1240574-64-4,
SCHEMBL14699439,
KM4006,
MFCD16810712,
ZINC67799268,
KS-00001N96,
CCCCN1C=C(C=N1)[N+]([O-])=O,
Z8743,
C7H11N3O2,
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| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.085g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.184g/mol |
| Monoisotopic Mass | 169.085g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number