NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-[4-(propan-2-yl)benzenesulfonyl]acetonitrile
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IUPAC Traditional name
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2-(4-isopropylbenzenesulfonyl)acetonitrile
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Synonyms
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4-Isopropylbenzenesulphonylacetonitrile 98%
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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
Acid pKa
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16.634369
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H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.0510633
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LogD (pH = 7.4)
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2.0510633
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Log P
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2.0510633
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Molar Refractivity
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59.0673 cm3
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Polarizability
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23.44077 Å3
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Polar Surface Area
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57.93 Å2
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Rotatable Bonds
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3
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Bioassay(PubChem)
Storage Warning
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Harmful/Irritant
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Show
data source
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PATENTS
PATENTS
PubChem Patent
Google Patent