5-Chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenemethanol - CAS 500284-93-5
Catalog: |
BB070415 |
Product Name: |
5-Chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenemethanol |
CAS: |
500284-93-5 |
Synonyms: |
NSC 25593 |
IUPAC Name: | 4-chloro-2-[(5-chloro-2-hydroxyphenyl)methyl]-6-(hydroxymethyl)phenol |
Description: | 5-Chloro-3-[(5-chloro-2-hydroxyphenyl)methyl]-2-hydroxybenzenemethanol is an intermediate in the synthesis of series of diphenylmethanes. |
Molecular Weight: | 299.15 |
Molecular Formula: | C14H12Cl2O3 |
Canonical SMILES: | C1=CC(=C(C=C1Cl)CC2=C(C(=CC(=C2)Cl)CO)O)O |
InChI: | InChI=1S/C14H12Cl2O3/c15-11-1-2-13(18)8(4-11)3-9-5-12(16)6-10(7-17)14(9)19/h1-2,4-6,17-19H,3,7H2 |
InChI Key: | ZPKIOZCAYYKQKW-UHFFFAOYSA-N |
Solubility: | Ethyl Acetate, Methanol |
Appearance: | White Solid |
References: | Florestano, H. J., et al. J. Pharmacol. Exper. Therap., 96, 238 (1949). |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 298.0163496 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 298.0163496 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.6 |
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