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135276-47-0 molecular structure
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1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione

ChemBase ID: 310797
Molecular Formular: C15H11FO3
Molecular Mass: 258.2444432
Monoisotopic Mass: 258.06922243
SMILES and InChIs

SMILES:
C(=O)(CC(=O)c1ccc(cc1)F)c1c(O)cccc1
Canonical SMILES:
Fc1ccc(cc1)C(=O)CC(=O)c1ccccc1O
InChI:
InChI=1S/C15H11FO3/c16-11-7-5-10(6-8-11)14(18)9-15(19)12-3-1-2-4-13(12)17/h1-8,17H,9H2
InChIKey:
LCNADOUVNLWSDQ-UHFFFAOYSA-N

Cite this record

CBID:310797 http://www.chembase.cn/molecule-310797.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
IUPAC Traditional name
1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
Synonyms
1-(4-fluorophenyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CAS Number
135276-47-0
MDL Number
MFCD20502979

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.6663187  LogD (pH = 7.4) 3.652506 
Log P 3.6664975  Molar Refractivity 68.8193 cm3
Polarizability 25.834925 Å3 Polar Surface Area 54.37 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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