Propanedioic acid, [(1R)-1-(4-fluorophenyl)-2-nitroethyl]-, diethyl ester

Base Information

• Chemical Name: Propanedioic acid, [(1R)-1-(4-fluorophenyl)-2-nitroethyl]-, diethyl ester
• CAS No.: 620960-32-9
• Molecular Formula: C15H18FNO6
• DSSTox Substance ID: DTXSID40467057
• Nikkaji Number: J2.134.991G
• Wikidata: Q82293831

Synonyms:620960-32-9;Propanedioic acid, [(1R)-1-(4-fluorophenyl)-2-nitroethyl]-, diethyl ester;DTXSID40467057

Chemical Property of Propanedioic acid, [(1R)-1-(4-fluorophenyl)-2-nitroethyl]-, diethyl ester

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 9
• Exact Mass: 327.11181546
• Heavy Atom Count: 23
• Complexity: 399

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(C(C[N+](=O)[O-])C1=CC=C(C=C1)F)C(=O)OCC
• Isomeric SMILES: CCOC(=O)C([C@@H](C[N+](=O)[O-])C1=CC=C(C=C1)F)C(=O)OCC

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