Methyl 3,4-Dichlorobenzoate - CAS 2905-68-2
Catalog: |
BB020075 |
Product Name: |
Methyl 3,4-Dichlorobenzoate |
CAS: |
2905-68-2 |
Synonyms: |
3,4-dichlorobenzoic acid methyl ester; methyl 3,4-dichlorobenzoate |
IUPAC Name: | methyl 3,4-dichlorobenzoate |
Description: | Methyl 3,4-Dichlorobenzoate (CAS# 2905-68-2) is a useful research chemical. |
Molecular Weight: | 205.04 |
Molecular Formula: | C8H6Cl2O2 |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)Cl)Cl |
InChI: | InChI=1S/C8H6Cl2O2/c1-12-8(11)5-2-3-6(9)7(10)4-5/h2-4H,1H3 |
InChI Key: | WICGATIORFSOJL-UHFFFAOYSA-N |
Boiling Point: | 264 °C at 760 mmHg |
Density: | 1.355 g/cm3 |
MDL: | MFCD00018165 |
LogP: | 2.78000 |
Publication Number | Title | Priority Date |
WO-2020117877-A1 | Compounds, compositions and methods of use | 20181204 |
AU-2017366901-A1 | Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases | 20161130 |
CN-110603254-A | Substituted pyrazole compounds and methods of using the same for treating hyperproliferative diseases | 20161130 |
EP-3548482-A1 | Substituted pyrazole compounds and methods of using them for treatment of hyperproliferative diseases | 20161130 |
JP-2019536785-A | Substituted pyrazole compounds for the treatment of hyperproliferative diseases and their use | 20161130 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.9744848 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.9744848 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.8 |
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