4-Nitroisophathalic Acid - CAS 4315-09-7
Catalog: |
BB025341 |
Product Name: |
4-Nitroisophathalic Acid |
CAS: |
4315-09-7 |
Synonyms: |
4-nitrobenzene-1,3-dicarboxylic acid; 4-nitrobenzene-1,3-dicarboxylic acid |
IUPAC Name: | 4-nitrobenzene-1,3-dicarboxylic acid |
Description: | 4-Nitroisophathalic Acid (CAS# 4315-09-7) is a useful research chemical compound. |
Molecular Weight: | 211.13 |
Molecular Formula: | C8H5NO6 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)C(=O)O)[N+](=O)[O-] |
InChI: | InChI=1S/C8H5NO6/c10-7(11)4-1-2-6(9(14)15)5(3-4)8(12)13/h1-3H,(H,10,11)(H,12,13) |
InChI Key: | OCJFXVHDIVAONP-UHFFFAOYSA-N |
Boiling Point: | 492.9 °C at 760 mmHg |
Density: | 1.671 g/cm3 |
MDL: | MFCD00096224 |
LogP: | 1.51440 |
Publication Number | Title | Priority Date |
CN-111153803-A | Method for synthesizing 5-nitroisophthalic acid | 20200211 |
WO-2020111280-A1 | Nucleic acid complex | 20181130 |
EP-3888663-A1 | Nucleic acid complex | 20181130 |
KR-20210098477-A | Nucleic Acid Complex | 20181130 |
CN-109503556-A | Quinazoline -2,4- derovatives and its preparation method and application | 20170915 |
PMID | Publication Date | Title | Journal |
22259487 | 20120101 | 4-Nitro-isophthalic acid | Acta crystallographica. Section E, Structure reports online |
18322335 | 20080301 | The 1:1 proton-transfer compounds of 4-(phenyldiazenyl)aniline (aniline yellow) with 3-nitrophthalic, 4-nitrophthalic and 5-nitroisophthalic acids | Acta crystallographica. Section C, Crystal structure communications |
17551180 | 20070601 | A novel two-dimensional layered framework built of strontium(II) with 4-nitrobenzene-1,3-dicarboxylic acid | Acta crystallographica. Section C, Crystal structure communications |
17339705 | 20070301 | Tetraaquabis(5-carboxy-2-nitrobenzoato-kappaO)manganese(II) dihydrate: a metal-water chain complex containing cyclic water tetramers | Acta crystallographica. Section C, Crystal structure communications |
Complexity: | 296 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 211.01168688 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 211.01168688 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 120 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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