7-Nitrobenzo[f]quinoline

HCID 759147

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Basic information

CAS: 186268-25-7
Standard SMILES: O=[N+]([O-])c1cccc2c1ccc1ncccc12
InChIKey: VAXVWLQKOFVEEX-UHFFFAOYSA-N
Molecular formula: C13H8N2O2
Average molar mass: 224.21 g/mol
Monoisotopic mass: 224.0585775

Names & identifiers

Preferred name: 7-Nitrobenzo[f]quinoline
IUPAC: 7-nitrobenzo[f]quinoline

Names & synonyms

7-nitrobenzo[f]quinoline186268-25-7Oprea1_189662MLS001195060CHEMBL1411648DTXSID501320044HMS2883L03STL321864AKOS001482961SMR000554411AB00090876-01SR-01000783058

Show more names

SR-01000783058-2

Database identifiers

CAS: 186268-25-7
PubChem CID: 759147
DTXSID: DTXSID501320044
ChEMBL: CHEMBL1411648
Nikkaji: J3.431.194C

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 58.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 17
Formal charge: 0
Complexity: 302

Experimental & physicochemical properties

Solubility1.3 [ug/mL] (The mean of the results at pH 7.4)

Related reactions

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Compound notes

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