8-Chloro-3-iodoquinoline - CAS 847727-21-3

Catalog:	BB037297
Product Name:	8-Chloro-3-iodoquinoline
CAS:	847727-21-3
Synonyms:	8-chloro-3-iodoquinoline; 8-chloro-3-iodoquinoline

Technical Data

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Computed Properties

IUPAC Name:	8-chloro-3-iodoquinoline
Description:	8-Chloro-3-iodoquinoline (CAS# 847727-21-3) is a useful research chemical.
Molecular Weight:	289.50
Molecular Formula:	C9H5ClIN
Canonical SMILES:	C1=CC2=CC(=CN=C2C(=C1)Cl)I
InChI:	InChI=1S/C9H5ClIN/c10-8-3-1-2-6-4-7(11)5-12-9(6)8/h1-5H
InChI Key:	CLABEFPWOLGBAP-UHFFFAOYSA-N
LogP:	3.49280

Publication Number	Title	Priority Date
CN-111072555-A	Method for preparing heterocyclic sulfone organic compound	20200116
CN-111072555-B	Method for preparing heterocyclic sulfone organic compound	20200116
US-2013157996-A1	Trpm8 antagonists and their use in treatments	20110624
US-2013158034-A1	Trpm8 antagonists and their use in treatments	20110624
US-2014171406-A1	Trpm8 antagonists and their use in treatments	20110624

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	288.91552
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	288.91552
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1