BRN 1161158

(11-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-7-yl) acetate

CAS: 57831-77-3

Molecular Formula	`C11H11N5O4`
Molecular Weight	277.24 g/mol
Topological Polar Surface Area	108.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	277.08112
Heavy Atoms	20
Complexity	414.0

Chemical Identifiers

CAS Number	57831-77-3
SMILES	`CC(=O)OC1CCN2C(=CN=C2C3=NC=CN13)[N+](=O)[O-]`
InChIKey	`AIZGKHDDSKGRQU-UHFFFAOYSA-N`

📖 Product Overview

BRN 1161158 (CAS: 57831-77-3) is a chemical compound with molecular formula C11H11N5O4 and molecular weight 277.24 g/mol. Its IUPAC systematic name is (11-nitro-3,6,10,13-tetrazatricyclo[8.3.0.02,6]trideca-1(13),2,4,11-tetraen-7-yl) acetate. Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 277.08112 Heavy Atoms 20 Complexity 414.0 InChI Key: AIZGKHDDSKGRQU-UHFFFAOYSA-N. SMILES: CC(=O)OC1CCN2C(=CN=C2C3=NC=CN13)[N+](=O)[O-].

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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