NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{4-[2-(N-ethylformamido)ethyl]-3-fluorophenyl}boronic acid
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IUPAC Traditional name
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4-[2-(N-ethylformamido)ethyl]-3-fluorophenylboronic acid
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Synonyms
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N-n-Butyl 4-borono-2-fluorobenzamide
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4-n-Butylcarbamoyl-3-fluorophenylboronic acid
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4-n-Butylcarbamoyl-3-fluorobenzeneboronic acid
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4-正丁基氨甲酰基-3-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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8.584854
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H Acceptors
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3
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H Donor
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2
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LogD (pH = 5.5)
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1.4620448
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LogD (pH = 7.4)
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1.4350587
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Log P
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1.4624
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Molar Refractivity
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58.6469 cm3
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Polarizability
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23.652063 Å3
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Polar Surface Area
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60.77 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent