3-Bromo-2-chloroanisole - CAS 174913-11-2
Catalog: |
BB013061 |
Product Name: |
3-Bromo-2-chloroanisole |
CAS: |
174913-11-2 |
Synonyms: |
1-bromo-2-chloro-3-methoxybenzene; 1-bromo-2-chloro-3-methoxybenzene |
IUPAC Name: | 1-bromo-2-chloro-3-methoxybenzene |
Description: | 3-Bromo-2-chloroanisole (CAS# 174913-11-2) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 221.48 |
Molecular Formula: | C7H6BrClO |
Canonical SMILES: | COC1=C(C(=CC=C1)Br)Cl |
InChI: | InChI=1S/C7H6BrClO/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H3 |
InChI Key: | XOZKQZFQBFNXPW-UHFFFAOYSA-N |
LogP: | 3.11110 |
Publication Number | Title | Priority Date |
WO-2020081848-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
EP-3867238-A1 | Protein tyrosine phosphatase inhibitors | 20181017 |
KR-20210076098-A | protein tyrosine phosphatase inhibitor | 20181017 |
TW-201446740-A | Substituted pyridine and pyridinium compounds as PDE4 inhibitors | 20130314 |
CN-104955454-A | Antagonists of chemokine receptors | 20120827 |
PMID | Publication Date | Title | Journal |
18926543 | 20081114 | Solid-phase microextraction for the determination of haloanisoles in wines and other alcoholic beverages using gas chromatography and atomic emission detection | Journal of chromatography. A |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.92906 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.92906 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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