Compound C12H15N5O5

2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol

CAS: 61785-54-4

Molecular Formula	`C12H15N5O5`
Molecular Weight	309.28 g/mol
LogP	0.5
Topological Polar Surface Area	124.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	8
Rotatable Bonds	3
Exact Mass	309.10733
Heavy Atoms	22
Complexity	400.0

Chemical Identifiers

CAS Number	61785-54-4
SMILES	`C1CN(CCN1CCO)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]`
InChIKey	`GICCVXYWBGOBIG-UHFFFAOYSA-N`

📖 Product Overview

Compound C12H15N5O5 (CAS: 61785-54-4) is a chemical compound with molecular formula C12H15N5O5 and molecular weight 309.28 g/mol. Its IUPAC systematic name is 2-[4-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)piperazin-1-yl]ethanol. LogP 0.5 Topological Polar Surface Area 124.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 8 Rotatable Bonds 3 Exact Mass 309.10733 Heavy Atoms 22 Complexity 400.0 InChI Key: GICCVXYWBGOBIG-UHFFFAOYSA-N. SMILES: C1CN(CCN1CCO)C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-].

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