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72955-97-6 molecular structure
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5-fluoro-2-methoxyphenol

ChemBase ID: 68920
Molecular Formular: C7H7FO2
Molecular Mass: 142.1276832
Monoisotopic Mass: 142.04300768
SMILES and InChIs

SMILES:
c1(c(ccc(c1)F)OC)O
Canonical SMILES:
COc1ccc(cc1O)F
InChI:
InChI=1S/C7H7FO2/c1-10-7-3-2-5(8)4-6(7)9/h2-4,9H,1H3
InChIKey:
PPJKLEQAFZWIQY-UHFFFAOYSA-N

Cite this record

CBID:68920 http://www.chembase.cn/molecule-68920.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoro-2-methoxyphenol
IUPAC Traditional name
5-fluoro-2-methoxyphenol
Synonyms
5-Fluoro-2-methoxyphenol 96%
2-Hydroxy-4-fluoroanisole
4-Fluoro-2-hydroxyphenyl methyl ether
5-Fluoroguaiacol
5-Fluoro-2-methoxyphenol 98%
5-Fluoro-2-methoxyphenol
CAS Number
72955-97-6
MDL Number
MFCD00143459
PubChem SID
162034650
PubChem CID
2774559

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.95989  H Acceptors
H Donor LogD (pH = 5.5) 1.6545616 
LogD (pH = 7.4) 1.6429961  Log P 1.6547111 
Molar Refractivity 34.7185 cm3 Polarizability 13.176673 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Corrosive/Harmful/Store under Argon expand Show data source
Corrosive/Store under Argon expand Show data source
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
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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