Methyl 2-(4-(1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-5-nitroisonicotinate

HCID 59201113
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Basic information

Standard SMILES
CCCc1cc(C(OCOC)(C(F)(F)F)C(F)(F)F)ccc1Oc1cc(C(=O)OC)c([N+](=O)[O-])cn1
InChIKey
AHRZBGZCMQEDGQ-UHFFFAOYSA-N
Molecular formula
C21H20F6N2O7
Average molar mass
526.4 g/mol

Names & identifiers

Preferred name
Methyl 2-(4-(1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-5-nitroisonicotinate
IUPAC
methyl 2-[4-[1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl]-2-propylphenoxy]-5-nitropyridine-4-carboxylate

Names & synonyms

methyl 2-(4-(1,1,1,3,3,3-hexafluoro-2-(methoxymethoxy)propan-2-yl)-2-propylphenoxy)-5-nitroisonicotinateSCHEMBL1092401

Database identifiers

PubChem CID
59201113

Properties

Computed structural properties

XLogP
5.4
Topological polar surface area
113 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
14
Rotatable bonds
10
Heavy atoms
36

Related reactions

2 records
New reaction record

Compound notes

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