4-Ethyl-3-iodobenzoic Acid - CAS 103441-03-8
Catalog: |
BB001127 |
Product Name: |
4-Ethyl-3-iodobenzoic Acid |
CAS: |
103441-03-8 |
Synonyms: |
4-ethyl-3-iodobenzoic acid; 4-ethyl-3-iodobenzoic acid |
IUPAC Name: | 4-ethyl-3-iodobenzoic acid |
Description: | 4-Ethyl-3-iodobenzoic Acid (CAS# 103441-03-8) is a useful research chemical. |
Molecular Weight: | 276.07 |
Molecular Formula: | C9H9IO2 |
Canonical SMILES: | CCC1=C(C=C(C=C1)C(=O)O)I |
InChI: | InChI=1S/C9H9IO2/c1-2-6-3-4-7(9(11)12)5-8(6)10/h3-5H,2H2,1H3,(H,11,12) |
InChI Key: | TUAVSACXCXUOSJ-UHFFFAOYSA-N |
Boiling Point: | 350.2 °C at 760 mmHg |
Density: | 1.76 g/cm3 |
LogP: | 2.55180 |
Publication Number | Title | Priority Date |
AU-2015204907-B2 | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 20140107 |
CA-2935767-A1 | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 20140107 |
EP-3092232-A1 | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 20140107 |
JP-2017502083-A | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 20140107 |
JP-6522007-B2 | Heterocyclic modulators of lipid synthesis for use against cancer and viral infections | 20140107 |
Complexity: | 170 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.96473 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.96473 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.9 |
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