2-(p-Nitrophenyl)adenine

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Basic information

CAS: 109875-50-5
Standard SMILES: Nc1nc(-c2ccc([N+](=O)[O-])cc2)nc2nc[nH]c12
InChIKey: LNLVLKGOVNENAN-UHFFFAOYSA-N
Molecular formula: C11H8N6O2
Average molar mass: 256.22 g/mol
Monoisotopic mass: 256.07087352

Names & identifiers

Preferred name: 2-(p-Nitrophenyl)adenine
IUPAC: 2-(4-nitrophenyl)-7H-purin-6-amine
English name: 2-(para-Nitrophenyl)-adenine
Molecular formula: C11H8N6O2
Molecular weight: 256.22

Names & synonyms

2-(p-Nitrophenyl)adenine109875-50-5CCRIS 53712-(4-nitrophenyl)-7H-purin-6-amine1H-Purin-6-amine, 2-(4-nitrophenyl)-UNII-S99060RJE4S99060RJE42-(PARA-NITROPHENYL)-ADENINEDTXSID201490669H-PURIN-6-AMINE, 2-(4-NITROPHENYL)-Q27289072

Database identifiers

CAS: 109875-50-5
PubChem CID: 5486769
DTXSID: DTXSID20149066
UNII: S99060RJE4

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 126 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 341

Physicochemical properties

FDA UNII: 99060 RJE4 · S99060RJE4

Related reactions

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Compound notes

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