1-(3',4'-Dimethoxyphenyl)-7-(4'-fluorophenyl)-2-nitro-5-heptanone

HCID 20164210
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Basic information

Standard SMILES
COc1ccc(CC(CCC(=O)CCc2ccc(F)cc2)[N+](=O)[O-])cc1OC
InChIKey
BPKHXBVKPIKVMT-UHFFFAOYSA-N
Molecular formula
C21H24FNO5
Average molar mass
389.4 g/mol

Names & identifiers

Preferred name
1-(3',4'-Dimethoxyphenyl)-7-(4'-fluorophenyl)-2-nitro-5-heptanone
IUPAC
7-(3,4-dimethoxyphenyl)-1-(4-fluorophenyl)-6-nitroheptan-3-one

Names & synonyms

SCHEMBL10758067BPKHXBVKPIKVMT-UHFFFAOYSA-N1-(3',4'-Dimethoxyphenyl)-7-(4'-fluorophenyl)-2-nitro-5-heptanone

Database identifiers

PubChem CID
20164210

Properties

Computed structural properties

XLogP
4
Topological polar surface area
81.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
28

Related reactions

10 records
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Compound notes

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