3-Fluoro-4-methoxyphenethyl Alcohol - CAS 404-91-1

Catalog:	BB024528
Product Name:	3-Fluoro-4-methoxyphenethyl Alcohol
CAS:	404-91-1
Synonyms:	2-(3-fluoro-4-methoxyphenyl)ethanol; 2-(3-fluoro-4-methoxyphenyl)ethanol

Technical Data

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Computed Properties

IUPAC Name:	2-(3-fluoro-4-methoxyphenyl)ethanol
Description:	3-Fluoro-4-methoxyphenethyl Alcohol (CAS# 404-91-1) is a useful research chemical.
Molecular Weight:	170.18
Molecular Formula:	C9H11FO2
Canonical SMILES:	COC1=C(C=C(C=C1)CCO)F
InChI:	InChI=1S/C9H11FO2/c1-12-9-3-2-7(4-5-11)6-8(9)10/h2-3,6,11H,4-5H2,1H3
InChI Key:	CTZFMMKZSPJHOS-UHFFFAOYSA-N
LogP:	1.36910

Publication Number	Title	Priority Date
AU-2018334272-A1	Tetrahydro-imidazo quinoline compositions as CBP/p300 inhibitors	20170915
CA-3075880-A1	Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors	20170915
US-2020216445-A1	Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors	20170915
WO-2019055877-A1	TETRAHYDROIMIDAZO QUINOLINE COMPOSITIONS AS INHIBITORS OF CBP / P300	20170915
EP-3681885-A1	Tetrahydro-imidazo quinoline compositions as cbp/p300 inhibitors	20170915

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning 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, 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:	130
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	170.07430775
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	170.07430775
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9