2-Iodo-5-methoxyphenol - CAS 41046-70-2

Catalog:	BB024763
Product Name:	2-Iodo-5-methoxyphenol
CAS:	41046-70-2
Synonyms:	2-iodo-5-methoxyphenol

Technical Data

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Computed Properties

IUPAC Name:	2-iodo-5-methoxyphenol
Description:	2-Iodo-5-methoxyphenol (CAS# 41046-70-2 ) is a useful research chemical.
Molecular Weight:	250.03
Molecular Formula:	C7H7IO2
Canonical SMILES:	COC1=CC(=C(C=C1)I)O
InChI:	InChI=1S/C7H7IO2/c1-10-5-2-3-6(8)7(9)4-5/h2-4,9H,1H3
InChI Key:	UEKVFLARUBVPKA-UHFFFAOYSA-N
Appearance:	Brown powder
LogP:	2.00540

Publication Number	Title	Priority Date
AU-2017256172-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
CA-3016303-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
EP-3448842-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-10118916-B2	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426
US-2017305891-A1	Modulators of cystic fibrosis transmembrane conductance regulator protein	20160426

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GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	108
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	249.94908
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	249.94908
Rotatable Bond Count:	1
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2