Ethyl 2,6-Dinitrobenzoate - CAS 773136-03-1
Catalog: |
BB035889 |
Product Name: |
Ethyl 2,6-Dinitrobenzoate |
CAS: |
773136-03-1 |
Synonyms: |
2,6-dinitrobenzoic acid ethyl ester; ethyl 2,6-dinitrobenzoate |
IUPAC Name: | ethyl 2,6-dinitrobenzoate |
Description: | Ethyl 2,6-Dinitrobenzoate (CAS# 773136-03-1 ) is a useful research chemical. |
Molecular Weight: | 240.17 |
Molecular Formula: | C9H8N2O6 |
Canonical SMILES: | CCOC(=O)C1=C(C=CC=C1[N+](=O)[O-])[N+](=O)[O-] |
InChI: | InChI=1S/C9H8N2O6/c1-2-17-9(12)8-6(10(13)14)4-3-5-7(8)11(15)16/h3-5H,2H2,1H3 |
InChI Key: | YAHSCVKMQNZMGB-UHFFFAOYSA-N |
LogP: | 2.72610 |
Publication Number | Title | Priority Date |
CA-2783314-A1 | 4-oxo-1h-quinoline-3-carboxamides as modulators of atp-binding cassette transporters | 20091211 |
MX-2008012945-A | MODULATORS OF CARRIER CONNECTORS TO ADENOSINE-CELLULAR TRIFOSPHATE (ATP). | 20060407 |
Complexity: | 298 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.03823598 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.03823598 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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