1-(2,5-Dichlorophenyl)ethanol - CAS 1475-12-3

Catalog:	BB010205
Product Name:	1-(2,5-Dichlorophenyl)ethanol
CAS:	1475-12-3
Synonyms:	1-(2,5-dichlorophenyl)ethanol; 1-(2,5-dichlorophenyl)ethanol

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Computed Properties

IUPAC Name:	1-(2,5-dichlorophenyl)ethanol
Description:	1-(2,5-Dichlorophenyl)ethanol (CAS# 1475-12-3) is a useful research chemical.
Molecular Weight:	191.05
Molecular Formula:	C8H8Cl2O
Canonical SMILES:	CC(C1=C(C=CC(=C1)Cl)Cl)O
InChI:	InChI=1S/C8H8Cl2O/c1-5(11)7-4-6(9)2-3-8(7)10/h2-5,11H,1H3
InChI Key:	RDMKUSDLLGKMCK-UHFFFAOYSA-N
Boiling Point:	257.9 °C at 760 mmHg
Density:	1.323 g/cm³
LogP:	3.04670

Publication Number	Title	Priority Date
WO-2015034729-A1	Substituted pyridine compounds and methods of use	20130905
CN-104650049-A	Substitutive pyridine compound and application method and application thereof	20130828
WO-2014089324-A1	Substituted cyclic compounds and methods of use	20121207
CN-104016979-A	Substituted cyclic compound as well as use method and application thereof	20121123
AU-2012358359-A1	Non-systemic TGR5 agonists	20111221

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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+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	129
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	189.9952203
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	189.9952203
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7