Dimethyl 4-Nitroisophthalate - CAS 69048-70-0
Catalog: |
BB033683 |
Product Name: |
Dimethyl 4-Nitroisophthalate |
CAS: |
69048-70-0 |
Synonyms: |
4-nitrobenzene-1,3-dicarboxylic acid dimethyl ester; dimethyl 4-nitrobenzene-1,3-dicarboxylate |
IUPAC Name: | dimethyl 4-nitrobenzene-1,3-dicarboxylate |
Description: | Dimethyl 4-Nitroisophthalate (CAS# 69048-70-0) is a useful research chemical. |
Molecular Weight: | 239.18 |
Molecular Formula: | C10H9NO6 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)[N+](=O)[O-])C(=O)OC |
InChI: | InChI=1S/C10H9NO6/c1-16-9(12)6-3-4-8(11(14)15)7(5-6)10(13)17-2/h3-5H,1-2H3 |
InChI Key: | IFGRLSNABSJUIU-UHFFFAOYSA-N |
LogP: | 1.69120 |
Publication Number | Title | Priority Date |
CN-109503556-A | Quinazoline -2,4- derovatives and its preparation method and application | 20170915 |
CN-109503556-B | Quinazoline-2, 4-diketone derivative and preparation method and application thereof | 20170915 |
US-2019328902-A1 | Compound Bearing Beta-Galactoside-Introduced Self-Immolative Linker | 20161228 |
AU-2015311333-A1 | Quinolinone compound and use thereof | 20140902 |
AU-2015311333-B2 | Quinolinone compound and use thereof | 20140902 |
Complexity: | 323 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 239.04298701 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 239.04298701 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 98.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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