5Z8

4-chloro-7-nitrobenzofurazan

Created:	2021-07-20
Last modified:	2024-09-27

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2 entries where 5Z8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	15
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	10

2D diagram of 5Z8

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Chemical Component Summary
Name	4-chloro-7-nitrobenzofurazan
Synonyms	4-chloranyl-7-nitro-2,1,3-benzoxadiazole; NBD-Cl; 4-nitro-2,1,3-benzoxadiazole (post-reaction)
Systematic Name (OpenEye OEToolkits)	4-chloranyl-7-nitro-2,1,3-benzoxadiazole
Formula	C₆ H₂ Cl N₃ O₃
Molecular Weight	199.551
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(Cl)c2nonc12
SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c2c(c1[N+](=O)[O-])non2)Cl
Canonical SMILES	CACTVS	3.385	[O-][N+](=O)c1ccc(Cl)c2nonc12
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	c1cc(c2c(c1[N+](=O)[O-])non2)Cl
InChI	InChI	1.06	InChI=1S/C6H2ClN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey	InChI	1.06	IGHBXJSNZCFXNK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	25043
ChEMBL	CHEMBL1743207
ChEBI	CHEBI:78878
CCDC/CSD	GAKNEL, NAJCOS

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