Basic information
- CAS
371952-37-3- Standard SMILES
N#CC1CCCc2c1[nH]c1ccc([N+](=O)[O-])cc21- InChIKey
ZQXSMKCINAMFOJ-UHFFFAOYSA-N- Molecular formula
- C13H11N3O2
- Average molar mass
- 241.24 g/mol
- Monoisotopic mass
- 241.0851266
Overview
6-nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile is a member of carbazoles.
Names & identifiers
- Preferred name
- 6-Nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile
- IUPAC
- 6-nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile
Names & synonyms
6-Nitro-2,3,4,9-tetrahydro-1H-carbazole-1-carbonitrile371952-37-3Oprea1_498144MLS001029426CHEMBL1430123CHEBI:113262DTXSID001319795HMS2811I22STL325251AKOS022132530SMR000425553AH-262/34795014
Show more names
Q27193732
Database identifiers
- CAS
371952-37-3- PubChem CID
- 3569860
- DTXSID
DTXSID001319795- ChEMBL
CHEMBL1430123- ChEBI
CHEBI:113262
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 397
Experimental & physicochemical properties
Solubility20.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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