5,7-Dinitrobenzofuran-3(2H)-one - CAS 98556-67-3
Catalog: |
BB042190 |
Product Name: |
5,7-Dinitrobenzofuran-3(2H)-one |
CAS: |
98556-67-3 |
Synonyms: |
5,7-dinitro-3-benzofuranone; 5,7-dinitro-1-benzofuran-3-one |
IUPAC Name: | 5,7-dinitro-1-benzofuran-3-one |
Description: | 5,7-Dinitrobenzofuran-3(2H)-one (CAS# 98556-67-3 ) is a useful research chemical. |
Molecular Weight: | 224.13 |
Molecular Formula: | C8H4N2O6 |
Canonical SMILES: | C1C(=O)C2=CC(=CC(=C2O1)[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C8H4N2O6/c11-7-3-16-8-5(7)1-4(9(12)13)2-6(8)10(14)15/h1-2H,3H2 |
InChI Key: | MPPJNPIHMKGRCX-UHFFFAOYSA-N |
LogP: | 2.12450 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 224.00693585 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 224.00693585 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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