NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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[4-fluoro-3-(isocyanatomethyl)phenyl]boronic acid; propane
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IUPAC Traditional name
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4-fluoro-3-(isocyanatomethyl)phenylboronic acid; propane
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Synonyms
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5-Borono-N,N-diethyl-2-fluorobenzamide
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3-Diethylcarbamoyl-4-fluorobenzeneboronic acid
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3-二乙基氨甲酰基-4-氟苯硼酸
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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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8.760196
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H Acceptors
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4
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H Donor
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2
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LogD (pH = 5.5)
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1.2951628
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LogD (pH = 7.4)
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1.2769518
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Log P
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1.2954
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Molar Refractivity
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42.7127 cm3
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Polarizability
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17.482752 Å3
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Polar Surface Area
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69.89 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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PATENTS
PATENTS
PubChem Patent
Google Patent