CAS Registry Number: 29270-56-2

Name:

2,​1,​3-​Benzoxadiazole, 4-​fluoro-​7-​nitro-
Benzofurazan, 4-​fluoro-​7-​nitro- (8CI); 4-​Fluoro-​7-​nitro-​2,​1,​3-​benzoxadiazole; 4-​Fluoro-​7-​nitrobenzofurazan; 7-​Fluoro-​4-​nitro-​2,​1,​3-​benzoxadiazole; NBD-​F 

Deleted CAS Registry Numbers: 82773-​55-​5

Chemical Formula: C6H2FN3O3
Exact Mass: 183.01
Molecular Weight: 183.10
m/z: 183.01 (100.0%), 184.01 (7.7%)

InChI: InChI=1S/C6H2FN3O3/c7-3-1-2-4(10(11)12)6-5(3)8-13-9-6/h1-2H
InChIKey: PGZIDERTDJHJFY-UHFFFAOYSA-N
Canonical SMILES : C1=C(C2=NON=C2C(=C1)F)[N+](=O)[O-]

Specification

98%

1. (1) Jung, Michael E.; Tetrahedron Letters 2011, V52(20), P2533-2535 CAPLUS
2. (2) AIST: Integrated Spectral Database System of Organic Compounds. (Data were obtained from the National Institute of Advanced Industrial Science and Technology (Japan))
3. (3) Heberer, H.; Journal fuer Praktische Chemie (Leipzig) 1985, V327(3), P487-504 CAPLUS