7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium

CAS: 61785-52-2

Molecular Formula	`C13H17N5O4`
Molecular Weight	307.31 g/mol
LogP	2.1
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	307.12805
Heavy Atoms	22
Complexity	398.0

Chemical Identifiers

CAS Number	61785-52-2
SMILES	`CCCN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]`
InChIKey	`YUXYRWBLHMZNFB-UHFFFAOYSA-N`

📖 Product Overview

7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium (CAS: 61785-52-2) is a chemical compound with molecular formula C13H17N5O4 and molecular weight 307.31 g/mol. Its IUPAC systematic name is 7-nitro-3-oxido-4-(4-propylpiperazin-1-yl)-2,1,3-benzoxadiazol-3-ium. LogP 2.1 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 307.12805 Heavy Atoms 22 Complexity 398.0 InChI Key: YUXYRWBLHMZNFB-UHFFFAOYSA-N. SMILES: CCCN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-].

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