3-Nitrobenzothiazolo(3,2-a)quinolinium
Basic information
- CAS
82773-09-9- Standard SMILES
O=[N+]([O-])c1ccc2c(ccc3sc4ccccc4[n+]32)c1- InChIKey
KZSSUNYIALKHLQ-UHFFFAOYSA-N- Molecular formula
- C15H9N2O2S+
- Average molar mass
- 281.31 g/mol
- Monoisotopic mass
- 281.03847371
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 3-Nitrobenzothiazolo(3,2-a)quinolinium
- IUPAC
- 3-nitro-[1,3]benzothiazolo[3,2-a]quinolin-12-ium
- English name
- Benzothiazolo(3,2-a)quinolinium, 3-nitro-, chloride
- Molecular weight
- 0
Names & synonyms
NBQCl3-Nitrobenzothiazolo(3,2-a)quinolinium3-NBQ82773-09-9DTXSID80231991RefChem:95030DTXCID10154482Benzothiazolo(3,2-a)quinolinium, 3-nitro-CHEMBL1178479SCHEMBL186318673-Nitro[1,3]benzothiazolo[3,2-a]quinolin-12-iumBenzothiazolo(3,2-a)quinolinium, 3-nitro-, chloride
Database identifiers
- CAS
82773-09-9- PubChem CID
- 134086
- DTXSID
DTXSID80231991- ChEMBL
CHEMBL1178479- Nikkaji
- J1.210.130I
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 1
- Complexity
- 400
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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