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

Technical Data

Patents

Computed Properties

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

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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