5-Nitro-1,3-dihydroisobenzofuran - CAS 52771-99-0

Catalog:	BB027941
Product Name:	5-Nitro-1,3-dihydroisobenzofuran
CAS:	52771-99-0
Synonyms:	5-nitro-1,3-dihydroisobenzofuran; 5-nitro-1,3-dihydro-2-benzofuran

Technical Data

Patents

Computed Properties

IUPAC Name:	5-nitro-1,3-dihydro-2-benzofuran
Description:	5-Nitro-1,3-dihydroisobenzofuran (CAS# 52771-99-0) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	C1C2=C(CO1)C=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO3/c10-9(11)8-2-1-6-4-12-5-7(6)3-8/h1-3H,4-5H2
InChI Key:	VZIBAMYIHSHADC-UHFFFAOYSA-N
Boiling Point:	298 °C
Density:	1.36 g/cm³
LogP:	2.14820

Publication Number	Title	Priority Date
US-2018118694-A1	6-membered heterocyclic derivatives and pharmaceutical composition comprising the same	20150424
WO-2011159854-A1	Cyclohexyl-azetidinyl antagonists of ccr2	20100617
EP-2062901-A1	Fluoroboron compound having aromatic ring or salt thereof, and process for production of compound having cyclic ether-fused aromatic ring by using the same	20060911
JP-5265368-B2	Fluoroboron compound having an aromatic ring or a salt thereof, and a method for producing a compound having a cyclic ether condensed aromatic ring using the same	20060911
JP-WO2008032702-A1	Fluoroboron compound having an aromatic ring or a salt thereof, and a method for producing a compound having a cyclic ether condensed aromatic ring using the same	20060911

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Related Functional Groups

Nitrogen Compounds

[32894-07-8]
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[618-40-6]
1-Methyl-1-phenylhydrazine
[514801-07-1]
3-[(4-Chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]-4-methoxybenzaldehyde
[247077-46-9]
3-Fluoro-6-methyl-2-nitropyridine
[1129-37-9]
4-Nitrobenzaldehyde oxime
[512809-77-7]
5-[(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carbaldehyde

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Complexity:	189
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.042593085
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.042593085
Rotatable Bond Count:	0
Topological Polar Surface Area:	55
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1