Methyl 2,6-Dichloro-4-cyanobenzoate - CAS 409127-32-8
Catalog: |
BB024712 |
Product Name: |
Methyl 2,6-Dichloro-4-cyanobenzoate |
CAS: |
409127-32-8 |
Synonyms: |
2,6-dichloro-4-cyanobenzoic acid methyl ester; methyl 2,6-dichloro-4-cyanobenzoate |
IUPAC Name: | methyl 2,6-dichloro-4-cyanobenzoate |
Description: | Methyl 2,6-Dichloro-4-cyanobenzoate (CAS# 409127-32-8 ) is a useful research chemical. |
Molecular Weight: | 230.05 |
Molecular Formula: | C9H5Cl2NO2 |
Canonical SMILES: | COC(=O)C1=C(C=C(C=C1Cl)C#N)Cl |
InChI: | InChI=1S/C9H5Cl2NO2/c1-14-9(13)8-6(10)2-5(4-12)3-7(8)11/h2-3H,1H3 |
InChI Key: | SFGSLCVSCBZCIC-UHFFFAOYSA-N |
Density: | 1.45 g/cm3 |
Appearance: | Solid |
MDL: | MFCD13194678 |
LogP: | 2.65168 |
Publication Number | Title | Priority Date |
EP-2714688-A1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
EP-2714688-B1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
JP-2014515368-A | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
TW-201311684-A | Heterocyclic compound as a protein kinase inhibitor | 20110526 |
US-2014155398-A1 | Heterocyclic compounds as protein kinase inhibitors | 20110526 |
Complexity: | 261 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 228.9697338 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 228.9697338 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.5 |
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