Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate - CAS 956263-73-3
Catalog: |
BB048193 |
Product Name: |
Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate |
CAS: |
956263-73-3 |
Synonyms: |
ethyl 3-[(4-nitropyrazolyl)methyl]-1,2,4-oxadiazole-5-carboxylate |
IUPAC Name: | ethyl 3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate |
Description: | Ethyl 3-[(4-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate (CAS# 956263-73-3 ) is a useful research chemical. |
Molecular Weight: | 267.20 |
Molecular Formula: | C9H9N5O5 |
Canonical SMILES: | CCOC(=O)C1=NC(=NO1)CN2C=C(C=N2)[N+](=O)[O-] |
InChI: | InChI=1S/C9H9N5O5/c1-2-18-9(15)8-11-7(12-19-8)5-13-4-6(3-10-13)14(16)17/h3-4H,2,5H2,1H3 |
InChI Key: | YAMOLQLFTNNUJQ-UHFFFAOYSA-N |
Boiling Point: | 458.4±51.0 °C at 760 mmHg |
Purity: | 97 % |
Density: | 1.66±0.1 g/cm3 |
Complexity: | 348 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.0603684 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.0603684 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 129 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.5 |
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