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61761-32-8 molecular structure
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5-fluoronaphthalen-1-ol

ChemBase ID: 61498
Molecular Formular: C10H7FO
Molecular Mass: 162.1603832
Monoisotopic Mass: 162.04809306
SMILES and InChIs

SMILES:
c12c(c(O)ccc2)cccc1F
Canonical SMILES:
Oc1cccc2c1cccc2F
InChI:
InChI=1S/C10H7FO/c11-9-5-1-4-8-7(9)3-2-6-10(8)12/h1-6,12H
InChIKey:
KMQITEWKYHQQHH-UHFFFAOYSA-N

Cite this record

CBID:61498 http://www.chembase.cn/molecule-61498.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
5-fluoronaphthalen-1-ol
IUPAC Traditional name
5-fluoronaphthalen-1-ol
Synonyms
5-Fluoronaphthalen-1-ol
CAS Number
61761-32-8
MDL Number
MFCD12401609
PubChem SID
162027239
PubChem CID
12336391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
066713 external link Add to cart Please log in.
Data Source Data ID
PubChem 12336391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 9.473007  H Acceptors
H Donor LogD (pH = 5.5) 2.8018134 
LogD (pH = 7.4) 2.7982268  Log P 2.8018591 
Molar Refractivity 44.7055 cm3 Polarizability 18.093765 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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