5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole

CAS: 65427-82-9

Molecular Formula	`C17H17N5O3`
Molecular Weight	339.3 g/mol
LogP	3.1
Topological Polar Surface Area	91.2 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	2
Exact Mass	339.13315
Heavy Atoms	25
Complexity	479.0

Chemical Identifiers

CAS Number	65427-82-9
SMILES	`CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-]`
InChIKey	`MXLYUXLWOJHPJY-UHFFFAOYSA-N`

📖 Product Overview

5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole (CAS: 65427-82-9) is a chemical compound with molecular formula C17H17N5O3 and molecular weight 339.3 g/mol. Its IUPAC systematic name is 5-[4-(3-methylphenyl)piperazin-1-yl]-4-nitro-2,1,3-benzoxadiazole. LogP 3.1 Topological Polar Surface Area 91.2 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 2 Exact Mass 339.13315 Heavy Atoms 25 Complexity 479.0 InChI Key: MXLYUXLWOJHPJY-UHFFFAOYSA-N. SMILES: CC1=CC(=CC=C1)N2CCN(CC2)C3=C(C4=NON=C4C=C3)[N+](=O)[O-].

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