2'- Amino- 5'- (4- carboxyphenyl) -[1, 1':3', 1''- terphenyl] - 4, 4''- dicarboxylic acid - CAS 1414662-67-1
Catalog: |
BB074904 |
Product Name: |
2'- Amino- 5'- (4- carboxyphenyl) -[1, 1':3', 1''- terphenyl] - 4, 4''- dicarboxylic acid |
CAS: |
1414662-67-1 |
Synonyms: |
2,4,6-Tris(4-carboxyphenyl)aniline |
IUPAC Name: | 4-[4-amino-3,5-bis(4-carboxyphenyl)phenyl]benzoic acid |
Description: | 2'- Amino- 5'- (4- carboxyphenyl) -[1, 1':3', 1''- terphenyl] - 4, 4''- dicarboxylic Acid is used in the synthesis of Zinc Imidazolate Tris(carboxyphenyl)aniline Metal Organic Frameworks (MOFs). |
Molecular Weight: | 453.44 |
Molecular Formula: | C27H19NO6 |
Canonical SMILES: | C1=CC(=CC=C1C2=CC(=C(C(=C2)C3=CC=C(C=C3)C(=O)O)N)C4=CC=C(C=C4)C(=O)O)C(=O)O |
InChI: | InChI=1S/C27H19NO6/c28-24-22(16-3-9-19(10-4-16)26(31)32)13-21(15-1-7-18(8-2-15)25(29)30)14-23(24)17-5-11-20(12-6-17)27(33)34/h1-14H,28H2,(H,29,30)(H,31,32)(H,33,34) |
InChI Key: | SJZOGPUPSBNNTA-UHFFFAOYSA-N |
Melting Point: | >225°C (dec.) |
Solubility: | DMSO (Slightly), Methanol (Slightly, Heated and Sonicated) |
Appearance: | Pale Yellow to Light Green Solid |
Storage: | -20°C, Hygroscopic |
References: | Fu, H., et al. Inorg. Chem., 55, 3928 (2016). |
Complexity: | 687 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 453.12123733 |
Formal Charge: | 0 |
Heavy Atom Count: | 34 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 4 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 453.12123733 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 138Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.7 |
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