SpectraBase Compound ID | AztJztMsQWS |
---|---|
InChI | InChI=1S/C13H8BrN3O2/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(5-2-8)17(18)19/h1-7H,(H,15,16) |
InChIKey | AAKXXFVQNJXNTI-UHFFFAOYSA-N |
Mol Weight | 318.13 g/mol |
Molecular Formula | C13H8BrN3O2 |
Exact Mass | 316.97999 g/mol |
SpectraBase Spectrum ID | JaQ4MpclC1i |
---|---|
Name | 5-Bromo-2-(4-nitrophenyl)-3H-1,3-benzodiazole |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 316.979989508 u |
Formula | C13H8BrN3O2 |
InChI | InChI=1S/C13H8BrN3O2/c14-9-3-6-11-12(7-9)16-13(15-11)8-1-4-10(5-2-8)17(18)19/h1-7H,(H,15,16) |
InChIKey | AAKXXFVQNJXNTI-UHFFFAOYSA-N |
Molecular Weight | 318.130 g/mol |
SMILES | C1(=CC=C2C(=C1)NC(=N2)C1=CC=C(C=C1)N(=O)=O)Br |