Methyl 1'-ethyl-4'-nitro-1'H-1,3'-bipyrazole-3-carboxylate - CAS 1855889-73-4
Catalog: |
BB050792 |
Product Name: |
Methyl 1'-ethyl-4'-nitro-1'H-1,3'-bipyrazole-3-carboxylate |
CAS: |
1855889-73-4 |
Synonyms: |
Methyl 1-(1-ethyl-4-nitro-1H-pyrazol-3-yl)-1H-pyrazole-3-carboxylate; [1,3'-Bi-1H-pyrazole]-3-carboxylic acid, 1'-ethyl-4'-nitro-, methyl ester; 1'-Ethyl-4'-nitro-1'H-[1,3']bipyrazolyl-3-carboxylic acid methyl ester |
IUPAC Name: | methyl 1-(1-ethyl-4-nitropyrazol-3-yl)pyrazole-3-carboxylate |
Molecular Weight: | 265.23 |
Molecular Formula: | C10H11N5O4 |
Canonical SMILES: | CCN1C=C(C(=N1)N2C=CC(=N2)C(=O)OC)[N+](=O)[O-] |
InChI: | InChI=1S/C10H11N5O4/c1-3-13-6-8(15(17)18)9(12-13)14-5-4-7(11-14)10(16)19-2/h4-6H,3H2,1-2H3 |
InChI Key: | JNDGXOCFINNDLT-UHFFFAOYSA-N |
Boiling Point: | 443.5±35.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.51±0.1 g/cm3 (Predicted) |
Complexity: | 360 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 265.08110385 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 265.08110385 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 108 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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