Propanedioic acid, chloro[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester

Base Information

• Chemical Name: Propanedioic acid, chloro[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester
• CAS No.: 820242-20-4
• Molecular Formula: C13H14ClNO6
• Molecular Weight: 315.70600
• DSSTox Substance ID: DTXSID80479159
• Nikkaji Number: J2.134.976C
• Wikidata: Q82313090

Synonyms:820242-20-4;Propanedioic acid, chloro[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester;DTXSID80479159

Chemical Property of Propanedioic acid, chloro[(1R)-2-nitro-1-phenylethyl]-, dimethyl ester

Chemical Property:

• PSA: 98.42000
• LogP: 1.89370
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 315.0509649
• Heavy Atom Count: 21
• Complexity: 386

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)(C(=O)OC)Cl
• Isomeric SMILES: COC(=O)C([C@@H](C[N+](=O)[O-])C1=CC=CC=C1)(C(=O)OC)Cl

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