Basic information
- CAS
158729-17-0- Standard SMILES
Cc1ccc(OS(=O)(=O)c2cccc3cccnc23)c([N+](=O)[O-])c1- InChIKey
MRAPSTVHQLLPNW-UHFFFAOYSA-N- Molecular formula
- C16H12N2O5S
- Average molar mass
- 344.3 g/mol
- Monoisotopic mass
- 344.04669266
Names & identifiers
- Preferred name
- 8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester
- IUPAC
- (4-methyl-2-nitrophenyl) quinoline-8-sulfonate
Names & synonyms
8-Quinolinesulfonic acid, 4-methyl-2-nitrophenyl ester158729-17-0CCRIS 69394-methyl-2-nitrophenyl quinoline-8-sulfonateDTXSID90166508
Database identifiers
- CAS
158729-17-0- PubChem CID
- 154702
- DTXSID
DTXSID90166508- Nikkaji
- J602.258H
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 556
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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