Dataset
elemental analysis (EA)
Chemical Info
InChI | InChI=1S/C6H5IN2O2/c7-4-1-2-5(8)6(3-4)9(10)11/h1-3H,8H2 |
---|---|
SMILES | Ic1ccc(c(c1)[N+](=O)[O-])N |
InChI Key | QVCRSYXVWPPBFJ-UHFFFAOYSA-N |
Molecular Formula | C6H5IN2O2 |
Exact Mass | 264.021 g/mol |
Data and Resources
Metadata Information
Field | Value |
---|---|
DOI | 10.14272/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0001075 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/QVCRSYXVWPPBFJ-UHFFFAOYSA-N/CHMO0001075 |
Version | |
Author | Laura Holzhauer |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-08T02:04:22.456124 |
MetadataModified | 2024-09-08T02:04:22.456130 |
MetadataPublished | 2023-12-07 |
Field | Value |
---|---|
Measurement Technique | elemental analysis |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
527545 | eMolecules |
ZINC000012957450 | ZINC |
DTXSID70463820 | EPA CompTox Dashboard |
CB5498903 | ChemicalBook |
11369072 | PubChem |
16462042 | PubChem: Thomson Pharma |
SCHEMBL571279 | SureChEMBL |
CAMSOZ | CCDC |
20182151 | NMRShiftDB |
The data in this table is sourced from UniChem at EBI. |