2-Chloro-6-hydroxy-4-methoxybenzaldehyde - CAS 116475-68-4
Catalog: |
BB003757 |
Product Name: |
2-Chloro-6-hydroxy-4-methoxybenzaldehyde |
CAS: |
116475-68-4 |
Synonyms: |
2-chloro-6-hydroxy-4-methoxybenzaldehyde; 2-chloro-6-hydroxy-4-methoxybenzaldehyde |
IUPAC Name: | 2-chloro-6-hydroxy-4-methoxybenzaldehyde |
Description: | 2-Chloro-6-hydroxy-4-methoxybenzaldehyde (CAS# 116475-68-4) is a useful research chemical. |
Molecular Weight: | 186.59 |
Molecular Formula: | C8H7ClO3 |
Canonical SMILES: | COC1=CC(=C(C(=C1)Cl)C=O)O |
InChI: | InChI=1S/C8H7ClO3/c1-12-5-2-7(9)6(4-10)8(11)3-5/h2-4,11H,1H3 |
InChI Key: | XLXMDMGOYNUVQL-UHFFFAOYSA-N |
LogP: | 1.86670 |
Publication Number | Title | Priority Date |
EP-1326593-A1 | ESTROGEN RECEPTOR-$g(b) LIGANDS | 20001013 |
JP-2004510815-A | Estrogen receptor-β ligand | 20001013 |
US-2004039015-A1 | Estrogen Receptor-beta ligands | 20001013 |
US-2005043350-A9 | Estrogen Receptor-beta ligands | 20001013 |
US-7226945-B2 | Estrogen receptor-β ligands | 20001013 |
Complexity: | 162 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 186.0083718 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 186.0083718 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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