4-Acetyl-2',4'-dimethoxy-2-nitrobiphenyl

HCID 21523047
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Basic information

Standard SMILES
COc1ccc(-c2ccc(C(C)=O)cc2[N+](=O)[O-])c(OC)c1
InChIKey
RYFFNRQSICUCLJ-UHFFFAOYSA-N
Molecular formula
C16H15NO5
Average molar mass
301.29 g/mol
Monoisotopic mass
301.09502258

Names & identifiers

Preferred name
4-Acetyl-2',4'-dimethoxy-2-nitrobiphenyl
IUPAC
1-[4-(2,4-dimethoxyphenyl)-3-nitrophenyl]ethanone

Names & synonyms

RYFFNRQSICUCLJ-UHFFFAOYSA-N4-acetyl-2',4'-dimethoxy-2-nitrobiphenyl

Database identifiers

PubChem CID
21523047

Properties

Computed structural properties

XLogP
3
Topological polar surface area
81.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
4
Heavy atoms
22

Related reactions

2 records
New reaction record

Compound notes

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