2-Chloro-6-iodobenzoic Acid - CAS 13420-63-8
Catalog: |
BB007895 |
Product Name: |
2-Chloro-6-iodobenzoic Acid |
CAS: |
13420-63-8 |
Synonyms: |
2-chloro-6-iodobenzoic acid; 2-chloro-6-iodobenzoic acid |
IUPAC Name: | 2-chloro-6-iodobenzoic acid |
Description: | 2-Chloro-6-iodobenzoic Acid (CAS# 13420-63-8) is a useful research chemical. |
Molecular Weight: | 282.46 |
Molecular Formula: | C7H4ClIO2 |
Canonical SMILES: | C1=CC(=C(C(=C1)I)C(=O)O)Cl |
InChI: | InChI=1S/C7H4ClIO2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11) |
InChI Key: | KNWHWEKCHWFXFZ-UHFFFAOYSA-N |
Storage: | Keep in dark place, Sealed in dry, 2-8 °C |
LogP: | 2.64280 |
GHS Hazard Statement: | H301 (97.44%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P280, P301+P310, P305+P351+P338, P321, P330, P337+P313, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2021093738-A1 | Radiolabelled mgl pet ligands | 20190930 |
WO-2021064569-A1 | Radiolabelled mgl pet ligands | 20190930 |
CN-109970542-A | Application of the quebrachite in copper catalysis aryl halides hydrolysis | 20190416 |
WO-2020130081-A1 | Method for producing 2-iodosobenzoic acids | 20181221 |
AU-2013276191-A1 | Triazolone compounds as mPGES-1 inhibitors | 20120615 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 281.89445 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 281.89445 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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