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

CAS: 58131-57-0

Molecular Formula	`C11H13N5O4`
Molecular Weight	279.25 g/mol
LogP	1.2
Topological Polar Surface Area	104.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	279.09674
Heavy Atoms	20
Complexity	370.0

Chemical Identifiers

CAS Number	58131-57-0
SMILES	`CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]`
InChIKey	`MWFZDJLPWDCQIL-UHFFFAOYSA-N`

📖 Product Overview

4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium (CAS: 58131-57-0) is a chemical compound with molecular formula C11H13N5O4 and molecular weight 279.25 g/mol. Its IUPAC systematic name is 4-(4-methylpiperazin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium. LogP 1.2 Topological Polar Surface Area 104.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 279.09674 Heavy Atoms 20 Complexity 370.0 InChI Key: MWFZDJLPWDCQIL-UHFFFAOYSA-N. SMILES: CN1CCN(CC1)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-].

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