1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride - CAS 1260658-93-2
Catalog: |
BB045625 |
Product Name: |
1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride |
CAS: |
1260658-93-2 |
Synonyms: |
1-ethyl-4-nitro-1H-pyrazole-3-carbonylchloride |
IUPAC Name: | 1-ethyl-4-nitropyrazole-3-carbonyl chloride |
Description: | 1-Ethyl-4-nitro-1H-pyrazole-3-carbonyl chloride (CAS# 1260658-93-2 ) is a useful research chemical. |
Molecular Weight: | 203.58 |
Molecular Formula: | C6H6ClN3O3 |
Canonical SMILES: | CCN1C=C(C(=N1)C(=O)Cl)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6ClN3O3/c1-2-9-3-4(10(12)13)5(8-9)6(7)11/h3H,2H2,1H3 |
InChI Key: | LJLPOLASQPARAW-UHFFFAOYSA-N |
Purity: | > 95 % |
Complexity: | 230 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.0097688 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.0097688 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 80.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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