Methyl 5-[(5-methyl-3,4-dinitropyrazolyl)methyl]furan-2-carboxylate - CAS 312309-39-0
Catalog: |
BB051843 |
Product Name: |
Methyl 5-[(5-methyl-3,4-dinitropyrazolyl)methyl]furan-2-carboxylate |
CAS: |
312309-39-0 |
Synonyms: |
Methyl 5-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]-2-furoate; methyl 5-[(5-methyl-3,4-dinitro-1H-pyrazol-1-yl)methyl]furan-2-carboxylate |
IUPAC Name: | methyl 5-[(5-methyl-3,4-dinitropyrazol-1-yl)methyl]furan-2-carboxylate |
Molecular Weight: | 310.22 |
Molecular Formula: | C11H10N4O7 |
Canonical SMILES: | CC1=C(C(=NN1CC2=CC=C(O2)C(=O)OC)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C11H10N4O7/c1-6-9(14(17)18)10(15(19)20)12-13(6)5-7-3-4-8(22-7)11(16)21-2/h3-4H,5H2,1-2H3 |
InChI Key: | WLKCQIOANLAAOA-UHFFFAOYSA-N |
Boiling Point: | 538.2±50.0 °C at 760 mmHg |
Density: | 1.7±0.1 g/cm3 |
Complexity: | 462 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 310.05494867 |
Formal Charge: | 0 |
Heavy Atom Count: | 22 |
Hydrogen Bond Acceptor Count: | 8 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 310.05494867 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 149 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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