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1065076-49-4 molecular structure
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5-fluoro-2,4-dimethoxyphenol

ChemBase ID: 180210
Molecular Formular: C8H9FO3
Molecular Mass: 172.1536632
Monoisotopic Mass: 172.05357237
SMILES and InChIs

SMILES:
c1c(c(cc(c1O)OC)OC)F
Canonical SMILES:
COc1cc(OC)c(cc1O)F
InChI:
InChI=1S/C8H9FO3/c1-11-7-4-8(12-2)6(10)3-5(7)9/h3-4,10H,1-2H3
InChIKey:
KVLMBOOUQUXJML-UHFFFAOYSA-N

Cite this record

CBID:180210 http://www.chembase.cn/molecule-180210.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2,4-dimethoxyphenol
IUPAC Traditional name
5-fluoro-2,4-dimethoxyphenol
Synonyms
5-fluoro-2,4-dimethoxyphenol
CAS Number
1065076-49-4
PubChem SID
164236120
PubChem CID
56972242

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Chemik
CHB83166 external link Add to cart Please log in.
Data Source Data ID
PubChem 56972242 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.450497  H Acceptors
H Donor LogD (pH = 5.5) 1.4969915 
LogD (pH = 7.4) 1.4932169  Log P 1.4970399 
Molar Refractivity 41.1817 cm3 Polarizability 15.735075 Å3
Polar Surface Area 38.69 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

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