2-Chloro-5-iodobenzaldehyde - CAS 256925-54-9

Catalog:	BB061590
Product Name:	2-Chloro-5-iodobenzaldehyde
CAS:	256925-54-9
Synonyms:	2-chloro-5-iodobenzaldehyde; Benzaldehyde, 2-chloro-5-iodo-

Technical Data

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Computed Properties

IUPAC Name:	2-chloro-5-iodobenzaldehyde
Molecular Weight:	266.46
Molecular Formula:	C7H4OClI
Canonical SMILES:	C1=CC(=C(C=C1I)C=O)Cl
InChI:	InChI=1S/C7H4ClIO/c8-7-2-1-6(9)3-5(7)4-10/h1-4H
InChI Key:	NZTSJMLJXBCULP-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2019062657-A1	HETEROCYLIC NITROGEN DERIVATIVE, PROCESS FOR PREPARING THE SAME, AND PHARMACEUTICAL USE THEREOF	20170930
AU-2016369631-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
US-10392413-B2	Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists	20151218
US-2017174718-A1	Substituted 4-phenyl pyridine compounds as non-systemic tgr5 agonists	20151218
US-2020062795-A1	Substituted 4-phenyl pyridine compounds as non-systemic tgr5 agonists	20151218
WO-2017106818-A1	Substituted 4-phenyl pyridine compounds as non-systemic tgr5 agonists	20151218
US-10968246-B2	Substituted 4-phenyl pyridine compounds as non-systemic TGR5 agonists	20151218

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	265.89954
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	265.89954
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7