| CAS Number | 1240573-73-2 |
| Catalog Number | AG000LGG(AGN-PC-0H6N09) |
| Chemical Name | 1-(3-METHYLBUTYL)-4-NITRO-1H-PYRAZOLE |
| IUPAC Name | 1-(3-methylbutyl)-4-nitropyrazole |
| InChI | InChI=1S/C8H13N3O2/c1-7(2)3-4-10-6-8(5-9-10)11(12)13/h5-7H,3-4H2,1-2H3 |
| InChI Key | YVXROGVHFOYTNG-UHFFFAOYSA-N |
| MDL Number | MFCD16810719 |
| Molecular Formula | C8H13N3O2 |
| Molecular Weight | 183.2077 |
| SMILES | CC(C)CCn1cc(cn1)[N+]([O-])=O |
| Synonyms | 1-(3-Methylbutyl)-4-nitro-1H-pyrazole,
1-Isopentyl-4-nitro-1H-pyrazole,
1240573-73-2,
Isopentyl-4-nitro-1H-pyrazole,
SCHEMBL930754,
YVXROGVHFOYTNG-UHFFFAOYSA-N,
1-(3-methylbutyl)-4-nitropyrazole,
KS-00001N9A,
MFCD16810719,
ZINC71978638,
AKOS030524980,
1H-Pyrazole, 1-(3-methylbutyl)-4-nitro-,
CS-0061035,
ACN-040565,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 183.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 183.211g/mol |
| Monoisotopic Mass | 183.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number