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123843-64-1 molecular structure
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1-butoxy-3,5-difluorobenzene

ChemBase ID: 180250
Molecular Formular: C10H12F2O
Molecular Mass: 186.1984864
Monoisotopic Mass: 186.08562144
SMILES and InChIs

SMILES:
c1(cc(cc(c1)OCCCC)F)F
Canonical SMILES:
CCCCOc1cc(F)cc(c1)F
InChI:
InChI=1S/C10H12F2O/c1-2-3-4-13-10-6-8(11)5-9(12)7-10/h5-7H,2-4H2,1H3
InChIKey:
DXOWXCOJMHANEP-UHFFFAOYSA-N

Cite this record

CBID:180250 http://www.chembase.cn/molecule-180250.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-butoxy-3,5-difluorobenzene
IUPAC Traditional name
1-butoxy-3,5-difluorobenzene
Synonyms
1-butoxy-3,5-difluorobenzene
CAS Number
123843-64-1
PubChem SID
164236160
PubChem CID
19010183

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Chemik
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Data Source Data ID
PubChem 19010183 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.4248774  LogD (pH = 7.4) 3.4248774 
Log P 3.4248774  Molar Refractivity 46.8276 cm3
Polarizability 17.748768 Å3 Polar Surface Area 9.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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