2-(2-Nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzene

HCID 53958905
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Basic information

Standard SMILES
CCC(C)(C)c1cccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1
InChIKey
JJOLQQNSXYJWCM-UHFFFAOYSA-N
Molecular formula
C18H18F3NO3
Average molar mass
353.3 g/mol

Names & identifiers

Preferred name
2-(2-Nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzene
IUPAC
1-[3-(2-methylbutan-2-yl)phenoxy]-2-nitro-4-(trifluoromethyl)benzene

Names & synonyms

2-(2-nitro-4-trifluoromethylphenoxy)-4-(1,1-dimethylpropyl)benzeneSCHEMBL8435213

Database identifiers

PubChem CID
53958905

Properties

Computed structural properties

XLogP
6
Topological polar surface area
55.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
25

Related reactions

2 records
New reaction record

Linked notes

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