Basic information
- CAS
1146298-62-5- Standard SMILES
O=Cc1ccc2cnccc2c1[N+](=O)[O-]- InChIKey
QMBCLGGIIMMHAW-UHFFFAOYSA-N- Molecular formula
- C10H6N2O3
- Average molar mass
- 202.17 g/mol
- Monoisotopic mass
- 202.03784206
Names & identifiers
- Preferred name
- 6-Isoquinolinecarboxaldehyde, 5-nitro-
- IUPAC
- 5-nitroisoquinoline-6-carbaldehyde
Names & synonyms
6-Isoquinolinecarboxaldehyde, 5-nitro-SCHEMBL311794415-nitroisoquinoline-6-carbaldehydeDTXSID3012828601146298-62-5
Database identifiers
- CAS
1146298-62-5- PubChem CID
- 39733700
- DTXSID
DTXSID301282860
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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