(2S)-2-[1-(4-Fluorophenyl)-2-nitroethyl]cyclohexan-1-one

Base Information

• Chemical Name: (2S)-2-[1-(4-Fluorophenyl)-2-nitroethyl]cyclohexan-1-one
• CAS No.: 921611-91-8
• Molecular Formula: C14H16FNO3
• DSSTox Substance ID: DTXSID30693661
• Nikkaji Number: J2.408.237G
• Wikidata: Q82622672

Synonyms:921611-91-8;(2S)-2-[1-(4-Fluorophenyl)-2-nitroethyl]cyclohexan-1-one;SCHEMBL10491745;DTXSID30693661;(s)-2-[(r)-1-(4-fluorophenyl)-2-nitroethyl]cyclohexanone;2alpha-[(R)-alpha-(Nitromethyl)-4-fluorobenzyl]cyclohexanone

Chemical Property of (2S)-2-[1-(4-Fluorophenyl)-2-nitroethyl]cyclohexan-1-one

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 265.11142153
• Heavy Atom Count: 19
• Complexity: 334

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(=O)C(C1)C(C[N+](=O)[O-])C2=CC=C(C=C2)F
• Isomeric SMILES: C1CCC(=O)[C@@H](C1)[C@@H](C[N+](=O)[O-])C2=CC=C(C=C2)F

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