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153877-56-6 molecular structure
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(3,5-difluorophenyl)(phenyl)methanol

ChemBase ID: 296757
Molecular Formular: C13H10F2O
Molecular Mass: 220.2147064
Monoisotopic Mass: 220.06997138
SMILES and InChIs

SMILES:
c1ccc(cc1)C(c1cc(cc(c1)F)F)O
Canonical SMILES:
Fc1cc(F)cc(c1)C(c1ccccc1)O
InChI:
InChI=1S/C13H10F2O/c14-11-6-10(7-12(15)8-11)13(16)9-4-2-1-3-5-9/h1-8,13,16H
InChIKey:
MZBBRGLZQRMJPL-UHFFFAOYSA-N

Cite this record

CBID:296757 http://www.chembase.cn/molecule-296757.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3,5-difluorophenyl)(phenyl)methanol
IUPAC Traditional name
(3,5-difluorophenyl)(phenyl)methanol
Synonyms
3,5-Difluorobenzhydrol
3,5-二氟二苯基甲醇
CAS Number
153877-56-6
MDL Number
MFCD06201256
PubChem SID
180682288
PubChem CID
2758253

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Alfa Aesar
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Data Source Data ID
PubChem 2758253 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.511447  H Acceptors
H Donor LogD (pH = 5.5) 3.27554 
LogD (pH = 7.4) 3.2755399  Log P 3.27554 
Molar Refractivity 57.5895 cm3 Polarizability 21.705126 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
TSCA Listed
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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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