BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE

7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium

CAS: 18378-06-8

Molecular Formula	`C12H7N3O4S`
Molecular Weight	289.27 g/mol
LogP	3.3
Topological Polar Surface Area	123.0 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	2
Exact Mass	289.01572
Heavy Atoms	20
Complexity	361.0

Chemical Identifiers

CAS Number	18378-06-8
SMILES	`C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-]`
InChIKey	`NHDVXPDPUYQSNH-UHFFFAOYSA-N`

📖 Product Overview

BENZOFURAZAN, 4-NITRO-7-PHENYLTHIO-, 1-OXIDE (CAS: 18378-06-8) is a chemical compound with molecular formula C12H7N3O4S and molecular weight 289.27 g/mol. Its IUPAC systematic name is 7-nitro-3-oxido-4-phenylsulfanyl-2,1,3-benzoxadiazol-3-ium. LogP 3.3 Topological Polar Surface Area 123.0 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 2 Exact Mass 289.01572 Heavy Atoms 20 Complexity 361.0 InChI Key: NHDVXPDPUYQSNH-UHFFFAOYSA-N. SMILES: C1=CC=C(C=C1)SC2=CC=C(C3=NO[N+](=C23)[O-])[N+](=O)[O-].

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