3-(4-Nitrophenyl)-1,2,4-oxadiazole - CAS 16013-14-2

Name: 3-(4-Nitrophenyl)-1,2,4-oxadiazole
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB011603
Product Name:	3-(4-Nitrophenyl)-1,2,4-oxadiazole
CAS:	16013-14-2
Synonyms:	3-(4-nitrophenyl)-1,2,4-oxadiazole; 3-(4-nitrophenyl)-1,2,4-oxadiazole

Technical Data

Patents

Computed Properties

IUPAC Name:	3-(4-nitrophenyl)-1,2,4-oxadiazole
Description:	3-(4-Nitrophenyl)-1,2,4-oxadiazole (CAS# 16013-14-2) is a useful research chemical.
Molecular Weight:	191.14
Molecular Formula:	C8H5N3O3
Canonical SMILES:	C1=CC(=CC=C1C2=NOC=N2)[N+](=O)[O-]
InChI:	InChI=1S/C8H5N3O3/c12-11(13)7-3-1-6(2-4-7)8-9-5-14-10-8/h1-5H
InChI Key:	KWOHXJCKLMGBFD-UHFFFAOYSA-N
MDL:	MFCD00274808
LogP:	2.16800

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Related Functional Groups

Oxadiazole/Thiadiazole

[1170931-46-0]C11H13N5O5
Ethyl 3-((3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl)-1,2,4-oxadiazole-5-carboxylate
[1172750-87-6]C14H15F3N4O3
Ethyl 3-(2-(5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)-1,2,4-oxadiazole-5-carboxylate
[1018125-37-5]C11H9FN2O3
Ethyl 3-(2-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[697245-66-2]C13H14N2O5
Ethyl 3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[956729-63-8]C9H9N5O5
Ethyl 3-[(3-nitro-1H-pyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxylate

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Publication Number	Title	Priority Date
CN-103619832-A	Process for the manufacture of dabigatran etexilate and intermediates thereof	20110511
EP-2707364-A1	Process for the manufacture of dabigatran etexilate and intermediates thereof	20110511
EP-2707364-B1	Process for the manufacture of dabigatran etexilate and intermediates thereof	20110511
US-2014155614-A1	Pharmaceutical intermediates and process for the preparation thereof	20110511
US-9260421-B2	Pharmaceutical intermediates and process for the preparation thereof	20110511

Complexity:	210
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.03309103
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	191.03309103
Rotatable Bond Count:	1
Topological Polar Surface Area:	84.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6