3-(benzimidazol-1-ylmethoxy)propylazanium2,4,6-trinitrophenolate

3-(benzimidazol-1-ylmethoxy)propylazanium;2,4,6-trinitrophenolate

CAS: 34703-79-2

Molecular Formula	`C17H18N6O8`
Molecular Weight	434.4 g/mol
Topological Polar Surface Area	215.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	9
Rotatable Bonds	5
Exact Mass	434.11862
Heavy Atoms	31
Complexity	480.0

Chemical Identifiers

CAS Number	34703-79-2
SMILES	`C1=CC=C2C(=C1)N=CN2COCCC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-]`
InChIKey	`BFQKOQXHWCXBLS-UHFFFAOYSA-N`

📖 Product Overview

3-(benzimidazol-1-ylmethoxy)propylazanium2,4,6-trinitrophenolate (CAS: 34703-79-2) is a chemical compound with molecular formula C17H18N6O8 and molecular weight 434.4 g/mol. Its IUPAC systematic name is 3-(benzimidazol-1-ylmethoxy)propylazanium;2,4,6-trinitrophenolate. Topological Polar Surface Area 215.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 9 Rotatable Bonds 5 Exact Mass 434.11862 Heavy Atoms 31 Complexity 480.0 InChI Key: BFQKOQXHWCXBLS-UHFFFAOYSA-N. SMILES: C1=CC=C2C(=C1)N=CN2COCCC[NH3+].C1=C(C=C(C(=C1[N+](=O)[O-])[O-])[N+](=O)[O-])[N+](=O)[O-].

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