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3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile

3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile - CAS 1213790-87-4

Name: 3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile
Brand: BOC Sciences
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Catalog:	BB005130
Product Name:	3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile
CAS:	1213790-87-4
Synonyms:	3-chloro-5-[(4-methoxyphenyl)methoxy]benzonitrile; 3-chloro-5-[(4-methoxyphenyl)methoxy]benzonitrile

Technical Data

Patents

Computed Properties

IUPAC Name:	3-chloro-5-[(4-methoxyphenyl)methoxy]benzonitrile
Description:	3-Chloro-5-[(4-methoxybenzyl)oxy]benzonitrile (CAS# 1213790-87-4) is a useful research chemical.
Molecular Weight:	273.71
Molecular Formula:	C15H12ClNO2
Canonical SMILES:	COC1=CC=C(C=C1)COC2=CC(=CC(=C2)C#N)Cl
InChI:	InChI=1S/C15H12ClNO2/c1-18-14-4-2-11(3-5-14)10-19-15-7-12(9-17)6-13(16)8-15/h2-8H,10H2,1H3
InChI Key:	GIOWFZJLEKWQFV-UHFFFAOYSA-N
LogP:	3.79928

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Publication Number	Title	Priority Date
WO-2020236692-A1	Pyridinone derivatives as selective cytotoxic agents against hiv infected cells	20190522
WO-2020131597-A1	Pyrimidone derivatives as selective cytotoxic agents against hiv infected cells	20181218
CN-113423695-A	Pyrimidinone derivatives as selective cytotoxic agents against HIV infected cells	20181218
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Complexity:	319
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	273.0556563
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	273.0556563
Rotatable Bond Count:	4
Topological Polar Surface Area:	42.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7