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1060817-36-8 molecular structure
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3-(4-fluorophenyl)oxolane-3-carbonitrile

ChemBase ID: 308334
Molecular Formular: C11H10FNO
Molecular Mass: 191.2016032
Monoisotopic Mass: 191.07464217
SMILES and InChIs

SMILES:
C1(C#N)(c2ccc(cc2)F)COCC1
Canonical SMILES:
N#CC1(COCC1)c1ccc(cc1)F
InChI:
InChI=1S/C11H10FNO/c12-10-3-1-9(2-4-10)11(7-13)5-6-14-8-11/h1-4H,5-6,8H2
InChIKey:
XAZPZBFARYPVAS-UHFFFAOYSA-N

Cite this record

CBID:308334 http://www.chembase.cn/molecule-308334.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(4-fluorophenyl)oxolane-3-carbonitrile
IUPAC Traditional name
3-(4-fluorophenyl)oxolane-3-carbonitrile
Synonyms
3-(4-fluorophenyl)tetrahydro-3-furancarbonitrile
CAS Number
1060817-36-8
MDL Number
MFCD11053957

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7994679  LogD (pH = 7.4) 1.7994679 
Log P 1.7994679  Molar Refractivity 50.4311 cm3
Polarizability 19.017984 Å3 Polar Surface Area 33.02 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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