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

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

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

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Related Functional Groups

Oxadiazole/Thiadiazole

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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