Dataset

X-ray diffraction (XRD)

dataset for X-ray diffraction (XRD)

Chemical Information

molecular Image
InChI InChI=1S/C8H3BrN2O4/c9-5-1-3-4(2-6(5)11(14)15)8(13)10-7(3)12/h1-2H,(H,10,12,13)
SMILES O=C1NC(=O)c2c1cc([N+](=O)[O-])c(c2)Br
InChI Key YLGNUZYLLNKCPD-UHFFFAOYSA-N
Molecular Formula C8H3BrN2O4
Exact Mass 271.024 g/mol

Data and Resources

Metadata Information

Field Value
DOI 10.14272/YLGNUZYLLNKCPD-UHFFFAOYSA-N/CHMO0000156
License URL
Source https://www.chemotion-repository.net/inchikey/YLGNUZYLLNKCPD-UHFFFAOYSA-N/CHMO0000156
Version
Author Martin Nieger
Maintainer Chemotion Repository
Language english
MetadataPublished 2025-03-07
Related Molecule
  • 5-bromo-6-nitroisoindole-1,3-dione
    • Field Value
    Measurement Technique X-ray diffraction
    Measurement Variables
    Data-Source Molecule ID Data-Source
    DTXSID40397108 EPA CompTox Dashboard
    ZINC000004499553 ZINC
    636771 eMolecules
    17435564 PubChem: Thomson Pharma
    SCHEMBL421305 SureChEMBL
    MCULE-2768505360 Mcule
    3836539 PubChem
    The data in this table is sourced from UniChem at EBI.