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4-[(3-Fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol

HCID 22482276
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
CC1c2ccccc2-c2ccc(F)cc2N1S(=O)(=O)c1ccc(O)cc1
InChIKey
GKRSEKAPPMIFRC-UHFFFAOYSA-N
Molecular formula
C20H16FNO3S
Average molar mass
369.4 g/mol

Names & identifiers

Preferred name
4-[(3-Fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol
IUPAC
4-[(3-fluoro-6-methyl-6H-phenanthridin-5-yl)sulfonyl]phenol

Names & synonyms

SCHEMBL5210979GKRSEKAPPMIFRC-UHFFFAOYSA-N4-[(3-Fluoro-6-methylphenanthridin-5(6H)-yl)sulfonyl]phenol

Database identifiers

PubChem CID
22482276

Properties

Computed structural properties

XLogP
4
Topological polar surface area
66 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
5
Rotatable bonds
2
Heavy atoms
26
Formal charge
0
Complexity
599

Related reactions

2 records
New reaction record
HRID 1125733 reaction equation
HRID 1125733As productTraining data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID 2181894 reaction equation
HRID 2181894As productuspto-grants-2005_05

Compound notes

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