4-Dimethylamino-3-(4-nitro-pyrazol-1-yl)-but-3-en-2-one - CAS 1004643-50-8
Catalog: |
BB049518 |
Product Name: |
4-Dimethylamino-3-(4-nitro-pyrazol-1-yl)-but-3-en-2-one |
CAS: |
1004643-50-8 |
Synonyms: |
(3E)-4-(dimethylamino)-3-(4-nitro-1H-pyrazol-1-yl)but-3-en-2-one |
IUPAC Name: | 4-(dimethylamino)-3-(4-nitropyrazol-1-yl)but-3-en-2-one |
Description: | 4-Dimethylamino-3-(4-nitro-pyrazol-1-yl)-but-3-en-2-one (CAS# 1004643-50-8 ) is a useful research chemical. |
Molecular Weight: | 224.22 |
Molecular Formula: | C9H12N4O3 |
Canonical SMILES: | CC(=O)C(=CN(C)C)N1C=C(C=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C9H12N4O3/c1-7(14)9(6-11(2)3)12-5-8(4-10-12)13(15)16/h4-6H,1-3H3 |
InChI Key: | SOQHARUVJGBKTK-UHFFFAOYSA-N |
Boiling Point: | 290.7±40.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 1 |
Exact Mass: | 224.09094026 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.09094026 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 84 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.3 |
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