NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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(6-isothiocyanatohexyl)benzene
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IUPAC Traditional name
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(6-isothiocyanatohexyl)benzene
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Synonyms
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(6-Isothiocyanatohexyl)benzene
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6-Phenylhexyl Isothiocyanate
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CAS 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
Data Source
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Data ID
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Price
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TRC
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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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4.861059
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LogD (pH = 7.4)
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4.861059
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Log P
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4.861059
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Molar Refractivity
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69.1007 cm3
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Polarizability
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27.088001 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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7
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Physical Property
Safety Information
Product Information
Bioassay(PubChem)
Solubility
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Chloroform
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Show
data source
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Apperance
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Yellowish Oil
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Show
data source
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent