3'-Fluoro-4'-hydroxyacetophenone - CAS 403-14-5

Catalog:	BB024444
Product Name:	3'-Fluoro-4'-hydroxyacetophenone
CAS:	403-14-5
Synonyms:	1-(3-fluoro-4-hydroxyphenyl)ethanone; 1-(3-fluoro-4-hydroxyphenyl)ethanone

Technical Data

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Computed Properties

IUPAC Name:	1-(3-fluoro-4-hydroxyphenyl)ethanone
Description:	3'-Fluoro-4'-hydroxyacetophenone (CAS# 403-14-5) is a useful research chemical.
Molecular Weight:	154.14
Molecular Formula:	C8H7FO2
Canonical SMILES:	CC(=O)C1=CC(=C(C=C1)O)F
InChI:	InChI=1S/C8H7FO2/c1-5(10)6-2-3-8(11)7(9)4-6/h2-4,11H,1H3
InChI Key:	GSWTXZXGONEVJC-UHFFFAOYSA-N
Boiling Point:	276.1 °C at 760 mmHg
Density:	1.247 g/cm³
MDL:	MFCD00215840
LogP:	1.73390

Publication Number	Title	Priority Date
CA-3068209-A1	Heterocyclic compound	20170620
CN-110709401-A	Heterocyclic compounds	20170620
EP-3643718-A1	Heterocyclic compound	20170620
JP-WO2018235838-A1	Heterocyclic compound	20170620
KR-20200013773-A	Heterocyclic compounds	20170620

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[253429-30-0]
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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:	158
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	154.04300762
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	154.04300762
Rotatable Bond Count:	1
Topological Polar Surface Area:	37.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4