Ethyl 3,5-Dichlorobenzoate - CAS 91085-56-2
Catalog: |
BB040039 |
Product Name: |
Ethyl 3,5-Dichlorobenzoate |
CAS: |
91085-56-2 |
Synonyms: |
3,5-dichlorobenzoic acid ethyl ester; ethyl 3,5-dichlorobenzoate |
IUPAC Name: | ethyl 3,5-dichlorobenzoate |
Description: | Ethyl 3,5-Dichlorobenzoate (CAS# 91085-56-2) is a useful research chemical. |
Molecular Weight: | 219.06 |
Molecular Formula: | C9H8Cl2O2 |
Canonical SMILES: | CCOC(=O)C1=CC(=CC(=C1)Cl)Cl |
InChI: | InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3 |
InChI Key: | JRLNLVFPSMDPLU-UHFFFAOYSA-N |
Boiling Point: | 289 °C at 760 mmHg |
Density: | 1.305 g/cm3 |
LogP: | 3.17010 |
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PMID | Publication Date | Title | Journal |
19086554 | 20070601 | Indirect somatic embryogenesis from petal explant of endangered wild population of Fritillaria imperialis | Pakistan journal of biological sciences : PJBS |
Complexity: | 175 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.9901349 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.9901349 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.4 |
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