3-Pyridyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

HCID 13475656
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Basic information

Standard SMILES
O=C(Oc1cccnc1)c1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]
InChIKey
ASAZAKSWADYDOL-UHFFFAOYSA-N
Molecular formula
C19H10ClF3N2O5
Average molar mass
438.7 g/mol

Names & identifiers

Preferred name
3-Pyridyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
IUPAC
pyridin-3-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate

Names & synonyms

3-pyridyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoateSCHEMBL10998821

Database identifiers

PubChem CID
13475656

Properties

Computed structural properties

XLogP
3.9
Topological polar surface area
94.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
30

Related reactions

1 records
New reaction record

Compound notes

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