4-Nitrobenzo[cd]indol-2(1h)-one
Basic information
- CAS
28440-62-2- Standard SMILES
O=C1Nc2cccc3cc([N+](=O)[O-])cc1c23- InChIKey
HMAUCVGRGWCHMK-UHFFFAOYSA-N- Molecular formula
- C11H6N2O3
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.03784206
Names & identifiers
- Preferred name
- 4-Nitrobenzo[cd]indol-2(1h)-one
- IUPAC
- 4-nitro-1H-benzo[cd]indol-2-one
Names & synonyms
4-nitrobenzo[cd]indol-2(1h)-one28440-62-2NSC116386SCHEMBL27006367DTXSID50297504NSC-116386
Database identifiers
- CAS
28440-62-2- PubChem CID
- 272145
- DTXSID
DTXSID50297504
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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