4-Fluoro-2-iodobenzaldehyde - CAS 909545-47-7

Catalog:	BB040008
Product Name:	4-Fluoro-2-iodobenzaldehyde
CAS:	909545-47-7
Synonyms:	4-fluoro-2-iodobenzaldehyde; 4-fluoro-2-iodobenzaldehyde

Technical Data

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Computed Properties

IUPAC Name:	4-fluoro-2-iodobenzaldehyde
Description:	4-Fluoro-2-iodobenzaldehyde (CAS# 909545-47-7) is a useful research chemical.
Molecular Weight:	250.01
Molecular Formula:	C7H4FIO
Canonical SMILES:	C1=CC(=C(C=C1F)I)C=O
InChI:	InChI=1S/C7H4FIO/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
InChI Key:	YPHYBDRMBQLXSS-UHFFFAOYSA-N
LogP:	2.24280

Publication Number	Title	Priority Date
EA-022766-B1	DOUBLE-SUBSTITUTED OCTAGIDROPYROL [3,4-c] PYRROLES AS MODULATORS OF OREXIN RECEPTORS	20091023
ES-2585806-T3	Octahydropyrrolo [3,4-c] disubstituted pyrroles as orexin receptor modulators	20091023
JP-2013508403-A	Disubstituted octahydropyrrolo [3,4-c] pyrrole as an orexin receptor modulator	20091023
JP-5759470-B2	Disubstituted octahydropyrrolo [3,4-c] pyrrole as an orexin receptor modulator	20091023
MX-2012004753-A	OCTAHYDROPIRROLO [3,4-C] DISPOSED PIRROLOS AS MODULATORS OF THE OREXINE RECEIVER.	20091023

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, 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:	249.92909
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	249.92909
Rotatable Bond Count:	1
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1