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126163-56-2 molecular structure
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4-ethoxy-2,3-difluorophenol

ChemBase ID: 296813
Molecular Formular: C8H8F2O2
Molecular Mass: 174.1447264
Monoisotopic Mass: 174.04923594
SMILES and InChIs

SMILES:
CCOc1ccc(c(c1F)F)O
Canonical SMILES:
CCOc1ccc(c(c1F)F)O
InChI:
InChI=1S/C8H8F2O2/c1-2-12-6-4-3-5(11)7(9)8(6)10/h3-4,11H,2H2,1H3
InChIKey:
PKIYFPSPIFCDDB-UHFFFAOYSA-N

Cite this record

CBID:296813 http://www.chembase.cn/molecule-296813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-ethoxy-2,3-difluorophenol
IUPAC Traditional name
4-ethoxy-2,3-difluorophenol
Synonyms
4-Ethoxy-2,3-difluorophenol, JRD
1-HYDROXY-4-ETHOXY-2,3-DIFLUOROBENZENE
4-乙氧基-2,3-二氟苯酚, JRD
CAS Number
126163-56-2
MDL Number
MFCD07368025
PubChem SID
180682344
PubChem CID
14495763

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 14495763 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.093144  H Acceptors
H Donor LogD (pH = 5.5) 2.1531224 
LogD (pH = 7.4) 2.0747244  Log P 2.154221 
Molar Refractivity 39.6835 cm3 Polarizability 14.801295 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
European Hazard Symbols
X expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26-36/37 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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