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324-94-7 molecular structure
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4-(4-fluorophenyl)phenol

ChemBase ID: 287412
Molecular Formular: C12H9FO
Molecular Mass: 188.1976632
Monoisotopic Mass: 188.06374313
SMILES and InChIs

SMILES:
Oc1ccc(c2ccc(F)cc2)cc1
Canonical SMILES:
Oc1ccc(cc1)c1ccc(cc1)F
InChI:
InChI=1S/C12H9FO/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8,14H
InChIKey:
QSJNKJGPJVOGPK-UHFFFAOYSA-N

Cite this record

CBID:287412 http://www.chembase.cn/molecule-287412.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(4-fluorophenyl)phenol
IUPAC Traditional name
4-(4-fluorophenyl)phenol
Synonyms
4'-Fluoro-[1,1'-biphenyl]-4-ol
CAS Number
324-94-7
MDL Number
MFCD01830385
PubChem SID
180672943
PubChem CID
345420

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD14444 Please log in.
Data Source Data ID
PubChem 345420 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.912587  H Acceptors
H Donor LogD (pH = 5.5) 3.4595912 
LogD (pH = 7.4) 3.4582834  Log P 3.4596078 
Molar Refractivity 53.3915 cm3 Polarizability 21.536663 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
95+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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