2-Chloro-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid; (ξ)-form

AlkaPlorer ID: AK292306

Synonym: None

IUPAC Name: 2-chloro-3-(4-hydroxy-3,5-dinitrophenyl)propanoic acid

Structure

SMILES: O=C(O)C(Cl)CC1=CC([N+](=O)[O-])=C(O)C([N+](=O)[O-])=C1

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InChI: InChI=1S/C9H7ClN2O7/c10-5(9(14)15)1-4-2-6(11(16)17)8(13)7(3-4)12(18)19/h2-3,5,13H,1H2,(H,14,15)

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InChIKey: NKLCKNYAKTXYPJ-UHFFFAOYSA-N

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Reference

PubChem CID: 117847463

Properties Information

Molecule Weight: 290.61500000000007

TPSA: 143.81

MolLogP: 1.4430999999999998

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 1

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information