NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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4-[(5-bromo-4,6-dichloropyrimidin-2-yl)amino]benzonitrile
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IUPAC Traditional name
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4-[(5-bromo-4,6-dichloropyrimidin-2-yl)amino]benzonitrile
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Synonyms
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4-[(5-Bromo-4,6-dichloro-2-pyrimidinyl)amino]benzonitrile
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4-((5-Bromo-4,6-dichloropyrimidin-2-yl)amino)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
Acid pKa
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12.074254
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H Acceptors
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4
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H Donor
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1
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LogD (pH = 5.5)
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4.4417396
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LogD (pH = 7.4)
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4.441731
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Log P
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4.4417396
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Molar Refractivity
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76.2311 cm3
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Polarizability
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28.017193 Å3
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Polar Surface Area
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61.6 Å2
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Rotatable Bonds
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2
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Lipinski's Rule of Five
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true
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PROPERTIES
PROPERTIES
Safety Information
Product Information
Bioassay(PubChem)
Purity
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95+%
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Show
data source
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Certificate of Analysis
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DETAILS
DETAILS
TRC
PATENTS
PATENTS
PubChem Patent
Google Patent