4-Iodo-2-methylbenzoic Acid - CAS 133232-58-3
Catalog: |
BB007710 |
Product Name: |
4-Iodo-2-methylbenzoic Acid |
CAS: |
133232-58-3 |
Synonyms: |
4-iodo-2-methylbenzoic acid; 4-iodo-2-methylbenzoic acid |
IUPAC Name: | 4-iodo-2-methylbenzoic acid |
Description: | 5-Iodotoluic Acid can be used as 15-PGDH inhibitor to prevent and treat 15-PGDH-related diseases, for instance, fibrosis, inflammation, cardiovascular disease, wound, and auto-immune diseases. |
Molecular Weight: | 262.04 |
Molecular Formula: | C8H7IO2 |
Canonical SMILES: | CC1=C(C=CC(=C1)I)C(=O)O |
InChI: | InChI=1S/C8H7IO2/c1-5-4-6(9)2-3-7(5)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | KISJQMPHSCFGKR-UHFFFAOYSA-N |
LogP: | 2.29780 |
Publication Number | Title | Priority Date |
JP-2019210283-A | Process for producing diarylmethane compounds | 20180531 |
JP-2019210284-A | Method for producing diaryl ketone compound | 20180531 |
TW-202003483-A | Method for manufacturing diarylmethane compound | 20180531 |
WO-2019230864-A1 | Method for manufacturing diarylmethane compound | 20180531 |
CN-112119067-A | Method for producing diarylmethane compound | 20180531 |
PMID | Publication Date | Title | Journal |
21202696 | 20080503 | Methyl 4-(trimethyl-silylethyn-yl)benzoate | Acta crystallographica. Section E, Structure reports online |
Complexity: | 158 |
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: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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