4-Bromo-3-iodobenzoic Acid - CAS 42860-06-0
Catalog: |
BB025254 |
Product Name: |
4-Bromo-3-iodobenzoic Acid |
CAS: |
42860-06-0 |
Synonyms: |
4-bromo-3-iodobenzoic acid; 4-bromo-3-iodobenzoic acid |
IUPAC Name: | 4-bromo-3-iodobenzoic acid |
Description: | 4-Bromo-3-iodobenzoic Acid (CAS# 42860-06-0) is a useful research chemical. |
Molecular Weight: | 326.91 |
Molecular Formula: | C7H4BrIO2 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)I)Br |
InChI: | InChI=1S/C7H4BrIO2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11) |
InChI Key: | VRRRMWPFDXNFBX-UHFFFAOYSA-N |
LogP: | 2.75190 |
Publication Number | Title | Priority Date |
WO-2020206109-A1 | Remodilins for airway remodeling and organ fibrosis | 20190402 |
WO-2020206118-A1 | Remodilins to prevent or treat cancer metastasis, glaucoma, and hypoxia | 20190402 |
WO-2019118358-A1 | Hepatitis b capsid assembly modulators | 20171211 |
US-2021171439-A1 | Hepatitis b capsid assembly modulators | 20171211 |
WO-2017186148-A1 | Novel heterocyclic compounds as tyrosine kinase bcr-abl inhibitors | 20160429 |
Complexity: | 163 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 325.84394 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 325.84394 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 37.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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