1-(3-tert-butoxy-4-nitrophenyl)-3,4-difluoro-1H-pyrrole

HCID 71272166
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Basic information

Standard SMILES
CC(C)(C)Oc1cc(-n2cc(F)c(F)c2)ccc1[N+](=O)[O-]
InChIKey
LXJYPTCWTYYAIJ-UHFFFAOYSA-N
Molecular formula
C14H14F2N2O3
Average molar mass
296.27 g/mol
Monoisotopic mass
296.09724864

Names & identifiers

Preferred name
1-(3-tert-butoxy-4-nitrophenyl)-3,4-difluoro-1H-pyrrole
IUPAC
3,4-difluoro-1-[3-[(2-methylpropan-2-yl)oxy]-4-nitrophenyl]pyrrole

Names & synonyms

SCHEMBL14722594LXJYPTCWTYYAIJ-UHFFFAOYSA-N1-(3-tert-butoxy-4-nitrophenyl)-3,4-difluoro-1H-pyrrole

Database identifiers

PubChem CID
71272166

Properties

Computed structural properties

XLogP
3.3
Topological polar surface area
60 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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