2,5-Dichloro-4-methoxybenzaldehyde - CAS 381229-74-9
Catalog: |
BB023538 |
Product Name: |
2,5-Dichloro-4-methoxybenzaldehyde |
CAS: |
381229-74-9 |
Synonyms: |
2,5-dichloro-4-methoxybenzaldehyde; 2,5-dichloro-4-methoxybenzaldehyde |
IUPAC Name: | 2,5-dichloro-4-methoxybenzaldehyde |
Description: | 2,5-Dichloro-4-methoxybenzaldehyde (CAS# 381229-74-9) is a useful research chemical. |
Molecular Weight: | 205.04 |
Molecular Formula: | C8H6Cl2O2 |
Canonical SMILES: | COC1=C(C=C(C(=C1)Cl)C=O)Cl |
InChI: | InChI=1S/C8H6Cl2O2/c1-12-8-3-6(9)5(4-11)2-7(8)10/h2-4H,1H3 |
InChI Key: | JUFGYSCJWDURGZ-UHFFFAOYSA-N |
LogP: | 2.81450 |
Publication Number | Title | Priority Date |
AU-2016369631-A1 | Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists | 20151218 |
CA-3008167-A1 | Substituted 4-phenyl pyridine compounds as non-systemic tgr5 agonists | 20151218 |
EP-3390382-A1 | Substituted 4-phenyl pyridine compounds as non-systemic tgr5 agonists | 20151218 |
JP-2019504118-A | Substituted 4-phenylpyridine compounds as non-systemic TGR5 agonists | 20151218 |
KR-20180120672-A | Substituted 4-phenylpyridine compound as a non-protonic TGR5 agonist | 20151218 |
Complexity: | 163 |
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: | 2.6 |
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