BRN 1822895

5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one

CAS: 96954-33-5

Molecular Formula	`C14H11N3O3`
Molecular Weight	269.25 g/mol
LogP	2.6
Topological Polar Surface Area	87.6 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	3
Exact Mass	269.08005
Heavy Atoms	20
Complexity	634.0

Chemical Identifiers

CAS Number	96954-33-5
SMILES	`C1=CC=C(C(=O)C=C1)NNC2=CC=C(C=CC2=O)N=O`
InChIKey	`VSKXPPWZVGSTAT-UHFFFAOYSA-N`

📖 Product Overview

BRN 1822895 (CAS: 96954-33-5) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.25 g/mol. Its IUPAC systematic name is 5-nitroso-2-[2-(7-oxocyclohepta-1,3,5-trien-1-yl)hydrazinyl]cyclohepta-2,4,6-trien-1-one. LogP 2.6 Topological Polar Surface Area 87.6 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 3 Exact Mass 269.08005 Heavy Atoms 20 Complexity 634.0 InChI Key: VSKXPPWZVGSTAT-UHFFFAOYSA-N. SMILES: C1=CC=C(C(=O)C=C1)NNC2=CC=C(C=CC2=O)N=O.

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