3-Iodophenylacetic acid - CAS 1878-69-9
Catalog: |
BB014456 |
Product Name: |
3-Iodophenylacetic acid |
CAS: |
1878-69-9 |
Synonyms: |
2-(3-iodophenyl)acetic acid |
IUPAC Name: | 2-(3-iodophenyl)acetic acid |
Description: | 3-Iodophenylacetic acid (CAS# 1878-69-9) is a useful research chemical. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | C1=CC(=CC(=C1)I)CC(=O)O |
InChI: | InChI=1S/C8H7IO2/c9-7-3-1-2-6(4-7)5-8(10)11/h1-4H,5H2,(H,10,11) |
InChI Key: | MRSWWBAFGGGWRH-UHFFFAOYSA-N |
Boiling Point: | 347.2 °C at 760 mmHg |
Melting Point: | 127-131 °C |
Purity: | 98 % |
Density: | 1.885 g/cm3 |
MDL: | MFCD00046548 |
LogP: | 1.91830 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2021052586-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
WO-2021035196-A1 | Compounds and methods for treating oxalate-related diseases | 20190822 |
US-2021061814-A1 | G-protein biased opioid receptor agonist/analgesics with reduced arrestin recruitment | 20190708 |
CN-109970542-B | Application of quebrachitol in copper-catalyzed aryl halide hydrolysis reaction | 20190416 |
WO-2019189862-A1 | Fluorinated organic compound production method | 20180330 |
PMID | Publication Date | Title | Journal |
19465931 | 20090701 | Inhibitor hijacking of Akt activation | Nature chemical biology |
Complexity: | 147 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 261.94908 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 261.94908 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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