2-Methoxy-5-nitrophenylacetylene - CAS 77123-62-7

Catalog:	BB035811
Product Name:	2-Methoxy-5-nitrophenylacetylene
CAS:	77123-62-7
Synonyms:	2-ethynyl-1-methoxy-4-nitrobenzene; 2-ethynyl-1-methoxy-4-nitrobenzene

Technical Data

Patents

Computed Properties

IUPAC Name:	2-ethynyl-1-methoxy-4-nitrobenzene
Description:	2-Methoxy-5-nitrophenylacetylene (CAS# 77123-62-7 ) is a useful research chemical.
Molecular Weight:	177.16
Molecular Formula:	C9H7NO3
Canonical SMILES:	COC1=C(C=C(C=C1)[N+](=O)[O-])C#C
InChI:	InChI=1S/C9H7NO3/c1-3-7-6-8(10(11)12)4-5-9(7)13-2/h1,4-6H,2H3
InChI Key:	CBPBUPVYLMUBQH-UHFFFAOYSA-N
LogP:	2.10790

Publication Number	Title	Priority Date
TW-201117806-A	2-[6-aryl-3(Z)-hexen-1,5-diynyl]-1,2,3-trimethoxybenzene compounds, and pharmaceutical compositions comprising the same	20091123
TW-I398245-B	5-[6-aryl-3(z)-hexen-1,5-diynyl]-1,2,3-trimethoxybenzene compounds, and pharmaceutical compositions comprising the same	20091123
JP-2011516426-A	Quinazoline derivatives and methods of treatment	20080328
KR-20110005828-A	Quinazolin derivatives and methods of treatment	20080328
US-2009269354-A1	Quinazoline derivatives and methods of treatment	20080328

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Complexity:	237
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.042593085
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.042593085
Rotatable Bond Count:	2
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2