1-(2-Nitrophenyl)-1,2,4-triazole - CAS 25688-22-6

Catalog:	BB019009
Product Name:	1-(2-Nitrophenyl)-1,2,4-triazole
CAS:	25688-22-6
Synonyms:	1-(2-nitrophenyl)-1,2,4-triazole; 1-(2-nitrophenyl)-1,2,4-triazole

Technical Data

Patents

Computed Properties

IUPAC Name:	1-(2-nitrophenyl)-1,2,4-triazole
Description:	1-(2-Nitrophenyl)-1,2,4-triazole (CAS# 25688-22-6) is a useful research chemical compound.
Molecular Weight:	190.16
Molecular Formula:	C8H6N4O2
Canonical SMILES:	C1=CC=C(C(=C1)N2C=NC=N2)[N+](=O)[O-]
InChI:	InChI=1S/C8H6N4O2/c13-12(14)8-4-2-1-3-7(8)11-6-9-5-10-11/h1-6H
InChI Key:	VRTXNVSANZBXNW-UHFFFAOYSA-N
LogP:	1.69870

Publication Number	Title	Priority Date
WO-2009090548-A2	3-azabicyclo [3.1.0] hexane derivatives as vanilloid receptor ligands	20080117
JP-2002543187-A	Imidazoline derivatives as Î±-1A adrenergic receptor ligands	19990430
US-4514214-A	Herbicidal sulfamates	19830315
EP-0096593-A2	Herbicidal sulfamates	19820609
US-4475944-A	Herbicidal sulfamates	19820609

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Complexity:	218
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	190.04907545
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	190.04907545
Rotatable Bond Count:	1
Topological Polar Surface Area:	76.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5