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126163-02-8 molecular structure
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1,2-difluoro-3-(4-propylphenyl)benzene

ChemBase ID: 797565
Molecular Formular: C15H14F2
Molecular Mass: 232.2684664
Monoisotopic Mass: 232.10635689
SMILES and InChIs

SMILES:
c1c(c(c(cc1)c1ccc(cc1)CCC)F)F
Canonical SMILES:
CCCc1ccc(cc1)c1cccc(c1F)F
InChI:
InChI=1S/C15H14F2/c1-2-4-11-7-9-12(10-8-11)13-5-3-6-14(16)15(13)17/h3,5-10H,2,4H2,1H3
InChIKey:
YNBZINBCLJAJFS-UHFFFAOYSA-N

Cite this record

CBID:797565 http://www.chembase.cn/molecule-797565.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,2-difluoro-3-(4-propylphenyl)benzene
IUPAC Traditional name
1,2-difluoro-3-(4-propylphenyl)benzene
Synonyms
2,3-Difluoro-4'-propyl-1,1'-biphenyl
CAS Number
126163-02-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.3084335  LogD (pH = 7.4) 5.3084335 
Log P 5.3084335  Molar Refractivity 65.8702 cm3
Polarizability 26.021946 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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