Basic information
- CAS
19164-42-2- Standard SMILES
O=Cc1ccc2c(c1)no[n+]2[O-]- InChIKey
XOGHVCWQRORUFN-UHFFFAOYSA-N- Molecular formula
- C7H4N2O3
- Average molar mass
- 164.12 g/mol
- Monoisotopic mass
- 164.02219199
Names & identifiers
- Preferred name
- 2,1,3-Benzoxadiazole-5-carbaldehyde 1-oxide
- IUPAC
- 1-oxido-2,1,3-benzoxadiazol-1-ium-5-carbaldehyde
- English name
- 2,1,3-BENZOXADIAZOLE-5-CARBALDEHYDE 1-OXIDE
- Molecular formula
- C7H4N2O3
- Molecular weight
- 164.12
Names & synonyms
2,1,3-Benzoxadiazole-5-carbaldehyde 1-oxide19164-42-2C7H4N2O31-oxido-2,1,3-benzoxadiazol-1-ium-5-carbaldehyde6454ADNSC368686SCHEMBL6111636CHEMBL2270110AKOS004119099NSC-3686865-formylbenzo[1,2-c]1,2,5-oxadiazole N-oxideALINDA 16811
Show more names
2,1,3-BENZOXADIAZOLE-5-CARBOXALDEHYDE, 1-OXIDE
Database identifiers
- CAS
19164-42-2- PubChem CID
- 339945
- DTXSID
DTXSID70940808- ChEMBL
CHEMBL2270110
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 187
Chemistry & industry
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
MolMall Sarl[email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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