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161643-29-4 molecular structure
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(2-fluoro-5-methoxyphenyl)methanol

ChemBase ID: 93789
Molecular Formular: C8H9FO2
Molecular Mass: 156.1542632
Monoisotopic Mass: 156.05865775
SMILES and InChIs

SMILES:
OCc1c(ccc(c1)OC)F
Canonical SMILES:
COc1ccc(c(c1)CO)F
InChI:
InChI=1S/C8H9FO2/c1-11-7-2-3-8(9)6(4-7)5-10/h2-4,10H,5H2,1H3
InChIKey:
HTGQGAKXUDFXGN-UHFFFAOYSA-N

Cite this record

CBID:93789 http://www.chembase.cn/molecule-93789.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-fluoro-5-methoxyphenyl)methanol
IUPAC Traditional name
(2-fluoro-5-methoxyphenyl)methanol
Synonyms
2-Fluoro-5-methoxybenzyl alcohol
CAS Number
161643-29-4
MDL Number
MFCD04116337
PubChem SID
162080455
PubChem CID
23074410

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
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Data Source Data ID
PubChem 23074410 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.461676  H Acceptors
H Donor LogD (pH = 5.5) 1.1909267 
LogD (pH = 7.4) 1.1909267  Log P 1.1909267 
Molar Refractivity 39.5535 cm3 Polarizability 15.005792 Å3
Polar Surface Area 29.46 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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