Ethyl 5-Methyl-2,4-dinitrobenzoate - CAS 103039-34-5
Catalog: |
BB000999 |
Product Name: |
Ethyl 5-Methyl-2,4-dinitrobenzoate |
CAS: |
103039-34-5 |
Synonyms: |
5-methyl-2,4-dinitrobenzoic acid ethyl ester; ethyl 5-methyl-2,4-dinitrobenzoate |
IUPAC Name: | ethyl 5-methyl-2,4-dinitrobenzoate |
Description: | Ethyl 5-Methyl-2,4-dinitrobenzoate (CAS# 103039-34-5 ) is a useful research chemical. |
Molecular Weight: | 254.20 |
Molecular Formula: | C10H10N2O6 |
Canonical SMILES: | CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C |
InChI: | InChI=1S/C10H10N2O6/c1-3-18-10(13)7-4-6(2)8(11(14)15)5-9(7)12(16)17/h4-5H,3H2,1-2H3 |
InChI Key: | IUNWYBCKKXSNTK-UHFFFAOYSA-N |
LogP: | 3.03450 |
Publication Number | Title | Priority Date |
US-2012309758-A1 | Modulators of atp-binding cassette transporters | 20101210 |
US-8802700-B2 | Modulators of ATP-Binding Cassette transporters | 20101210 |
AU-2010327993-A1 | 4-oxo-1H-quinoline-3-carboxamides as modulators of ATP-Binding cassette transporters | 20091211 |
CA-2783314-A1 | 4-oxo-1h-quinoline-3-carboxamides as modulators of atp-binding cassette transporters | 20091211 |
EP-2509954-A1 | 4 -oxo- 1h -quinoline- 3 - carboxamides as modulators of atp -binding cassette transporters | 20091211 |
Complexity: | 347 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.05388604 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.05388604 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 118 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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