NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-hydroxy-5-(trifluoromethyl)benzonitrile
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IUPAC Traditional name
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3-hydroxy-5-(trifluoromethyl)benzonitrile
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Synonyms
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3-Cyano-5-(trifluoromethyl)phenol
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3-Cyano-5-hydroxybenzotrifluoride
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3-Hydroxy-5-(trifluoromethyl)benzonitrile
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CAS Number
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MDL 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
Molar Refractivity
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39.7342 cm3
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Polarizability
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14.0722 Å3
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Polar Surface Area
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44.02 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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Acid pKa
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7.998785
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H Acceptors
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2
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H Donor
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1
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LogD (pH = 5.5)
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2.4022596
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LogD (pH = 7.4)
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2.3068032
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Log P
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2.4036252
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Toxic/Harmful/Keep Cold
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent