4-Nitro-1,3-dihydroisobenzofuran - CAS 98475-08-2

Catalog:	BB042170
Product Name:	4-Nitro-1,3-dihydroisobenzofuran
CAS:	98475-08-2
Synonyms:	4-nitro-1,3-dihydroisobenzofuran; 4-nitro-1,3-dihydro-2-benzofuran

Technical Data

Patents

Computed Properties

IUPAC Name:	4-nitro-1,3-dihydro-2-benzofuran
Description:	4-Nitro-1,3-dihydroisobenzofuran (CAS# 98475-08-2 ) is a useful research chemical.
Molecular Weight:	165.15
Molecular Formula:	C8H7NO3
Canonical SMILES:	C1C2=C(CO1)C(=CC=C2)[N+](=O)[O-]
InChI:	InChI=1S/C8H7NO3/c10-9(11)8-3-1-2-6-4-12-5-7(6)8/h1-3H,4-5H2
InChI Key:	QQVSXIZLVKBYTP-UHFFFAOYSA-N
LogP:	2.14820

Publication Number	Title	Priority Date
WO-2020210828-A1	(aza)indazolyl-aryl sulfonamide and related compounds and their use in treating medical conditions	20190412
CN-106749203-A	A kind of pyrimidine heterocyclic compounds, miazines heterocyclic compound salts and preparation method and application	20161128
CN-106749203-B	Pyrimidine heterocyclic compound, pyrimidine heterocyclic compound salt, preparation method and application	20161128
AU-2015371137-A1	Azoline compounds substituted by a condensed ring system	20141222
AU-2015371137-B2	Azoline compounds substituted by a condensed ring system	20141222

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Related Functional Groups

Benzofuran/Benzothiophene

[20532-34-7]
1-benzothiophen-5-ylmethanol
[328270-02-6]
2-Amino-6-ethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
[1450835-21-8]
(6-Chlorobenzo[b]thiophen-2-yl)boronic acid
[335671-77-7]
7-Bromo-2,3-dihydrobenzofuran-5-carboxylic acid
[4506-71-2]
Ethyl 2-amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate
[7311-95-7]
Ethyl-2-amino-benzo(b)thiophene-3-carboxylate

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