4-(2-Chloroethyl)-2,6-dinitrophenol

AlkaPlorer ID: AK292298

Synonym: 2-(4-Hydroxy-3,5-dinitrophenyl)ethyl chloride

IUPAC Name: 4-(2-chloroethyl)-2,6-dinitrophenol

Structure

SMILES: O=[N+]([O-])C1=CC(CCCl)=CC([N+](=O)[O-])=C1O

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InChI: InChI=1S/C8H7ClN2O5/c9-2-1-5-3-6(10(13)14)8(12)7(4-5)11(15)16/h3-4,12H,1-2H2

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InChIKey: UVECJZMPFCYIGJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 246.606

TPSA: 106.51

MolLogP: 1.9899

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information