1-(4-Fluorophenyl)-2-propyn-1-ol - CAS 3798-61-6

Catalog:	BB023480
Product Name:	1-(4-Fluorophenyl)-2-propyn-1-ol
CAS:	3798-61-6
Synonyms:	1-(4-fluorophenyl)-2-propyn-1-ol; 1-(4-fluorophenyl)prop-2-yn-1-ol

Technical Data

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Computed Properties

IUPAC Name:	1-(4-fluorophenyl)prop-2-yn-1-ol
Description:	1-(4-Fluorophenyl)-2-propyn-1-ol (CAS# 3798-61-6) is a useful research chemical.
Molecular Weight:	150.15
Molecular Formula:	C9H7FO
Canonical SMILES:	C#CC(C1=CC=C(C=C1)F)O
InChI:	InChI=1S/C9H7FO/c1-2-9(11)7-3-5-8(10)6-4-7/h1,3-6,9,11H
InChI Key:	JZJFKHHTWIWOOH-UHFFFAOYSA-N
Boiling Point:	68 °C (0.2 mmHg)
LogP:	1.49230

Publication Number	Title	Priority Date
CN-112979610-A	Diacetylene diol compound, and synthetic method and application thereof	20210305
US-2017152262-A1	Vinylogous thioester compounds and methods of use	20151002
US-9873705-B2	Vinylogous thioester compounds and methods of use	20151002
US-10383831-B2	2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use	20150803
US-2018243239-A1	2,4,6-trialkoxystryl aryl sulfones, sulfonamides and carboxamides, and methods of preparation and use	20150803

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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, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	162
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.048093005
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.048093005
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5