Compound C8H6N4O4

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

CAS: 61785-57-7

Molecular Formula	`C8H6N4O4`
Molecular Weight	222.16 g/mol
LogP	1.1
Topological Polar Surface Area	100.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	222.03891
Heavy Atoms	16
Complexity	305.0

Chemical Identifiers

CAS Number	61785-57-7
SMILES	`C1CN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]`
InChIKey	`XGWKBJXIRHXEBK-UHFFFAOYSA-N`

📖 Product Overview

Compound C8H6N4O4 (CAS: 61785-57-7) is a chemical compound with molecular formula C8H6N4O4 and molecular weight 222.16 g/mol. Its IUPAC systematic name is 4-(aziridin-1-yl)-7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium. LogP 1.1 Topological Polar Surface Area 100.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 222.03891 Heavy Atoms 16 Complexity 305.0 InChI Key: XGWKBJXIRHXEBK-UHFFFAOYSA-N. SMILES: C1CN1C2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-].

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