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3-(Benzo[d]thiazol-5-yl)-5-fluorophenol

HCID 59282925
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

Standard SMILES
Oc1cc(F)cc(-c2ccc3scnc3c2)c1
InChIKey
NCZNDMDKKFHNJY-UHFFFAOYSA-N
Molecular formula
C13H8FNOS
Average molar mass
245.27 g/mol

Names & identifiers

Preferred name
3-(Benzo[d]thiazol-5-yl)-5-fluorophenol
IUPAC
3-(1,3-benzothiazol-5-yl)-5-fluorophenol

Names & synonyms

SCHEMBL1850000NCZNDMDKKFHNJY-UHFFFAOYSA-N3-(benzo[d]thiazol-5-yl)-5-fluorophenol

Database identifiers

PubChem CID
59282925

Properties

Computed structural properties

XLogP
3.7
Topological polar surface area
61.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
17
Formal charge
0
Complexity
278

Related reactions

1 records
New reaction record
HRID 1965844 reaction equation
HRID 1965844As productuspto-grants-2013_04

Compound notes

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