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827-88-3 molecular structure
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cyclopropyl(4-fluorophenyl)methanol

ChemBase ID: 96768
Molecular Formular: C10H11FO
Molecular Mass: 166.1921432
Monoisotopic Mass: 166.07939319
SMILES and InChIs

SMILES:
OC(C1CC1)c1ccc(cc1)F
Canonical SMILES:
OC(c1ccc(cc1)F)C1CC1
InChI:
InChI=1S/C10H11FO/c11-9-5-3-8(4-6-9)10(12)7-1-2-7/h3-7,10,12H,1-2H2
InChIKey:
MJODBWDKPXYVMF-UHFFFAOYSA-N

Cite this record

CBID:96768 http://www.chembase.cn/molecule-96768.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
cyclopropyl(4-fluorophenyl)methanol
IUPAC Traditional name
cyclopropyl(4-fluorophenyl)methanol
Synonyms
cyclopropyl(4-fluorophenyl)methanol
CAS Number
827-88-3
MDL Number
MFCD00013730
PubChem SID
162083417
PubChem CID
102498

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 102498 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.190159  H Acceptors
H Donor LogD (pH = 5.5) 2.1889424 
LogD (pH = 7.4) 2.1889422  Log P 2.1889424 
Molar Refractivity 44.7025 cm3 Polarizability 17.238453 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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