NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1-fluoro-3-isothiocyanatobenzene
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IUPAC Traditional name
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1-fluoro-3-isothiocyanatobenzene
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Synonyms
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3-Fluorophenyl isothiocyanate
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3-Fluorophenyl isothiocyanate
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异硫氰酸(3-氟苯)酯
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3-氟苯硫代异氰酸酯
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CAS Number
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EC Number
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MDL Number
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Beilstein Number
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PubChem SID
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PubChem CID
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
H Acceptors
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1
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H Donor
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0
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LogD (pH = 5.5)
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3.137772
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LogD (pH = 7.4)
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3.137773
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Log P
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3.137773
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Molar Refractivity
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43.3373 cm3
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Polarizability
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15.672962 Å3
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Polar Surface Area
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12.36 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent