5-Fluoro-2-methoxybenzyl Alcohol - CAS 426831-32-5

Catalog:	BB025198
Product Name:	5-Fluoro-2-methoxybenzyl Alcohol
CAS:	426831-32-5
Synonyms:	(5-fluoro-2-methoxyphenyl)methanol; (5-fluoro-2-methoxyphenyl)methanol

Technical Data

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Computed Properties

IUPAC Name:	(5-fluoro-2-methoxyphenyl)methanol
Description:	5-Fluoro-2-methoxybenzyl Alcohol (CAS# 426831-32-5) is a useful research chemical.
Molecular Weight:	156.15
Molecular Formula:	C8H9FO2
Canonical SMILES:	COC1=C(C=C(C=C1)F)CO
InChI:	InChI=1S/C8H9FO2/c1-11-8-3-2-7(9)4-6(8)5-10/h2-4,10H,5H2,1H3
InChI Key:	NJDNHGOIOZXFCB-UHFFFAOYSA-N
Boiling Point:	241.964 °C at 760 mmHg
Density:	1.188 g/cm³
MDL:	MFCD00671767
LogP:	1.32660

Publication Number	Title	Priority Date
EP-2900645-A1	3-phenylisoxazolin derivatives with herbicidal action	20120925
EP-2760870-A1	Substituted bicyclic heteroaryl compounds	20110927
WO-2013049263-A1	Substituted bicyclic heteroaryl compounds	20110927
US-2012208844-A1	Substituted piperidines that increase p53 activity and the uses thereof	20091014
US-2014336222-A1	SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF	20091014

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GHS Hazard Statement:	H319 (98.86%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	119
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.05865769
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.05865769
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1