NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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5-bromo-3-(dihydroxyboranyl)-2-fluorobenzoic acid
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IUPAC Traditional name
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5-bromo-3-(dihydroxyboranyl)-2-fluorobenzoic acid
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Synonyms
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2-Fluoro-3-carboxy-5-bromophenylboronic acid
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3-Borono-5-bromo-2-fluorobenzoic acid
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5-Bromo-3-carboxy-2-fluorobenzeneboronic acid
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5-Bromo-3-carboxy-2-fluorophenylboronic acid
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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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3.061253
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H Acceptors
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4
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H Donor
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3
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LogD (pH = 5.5)
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-0.33015853
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LogD (pH = 7.4)
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-1.5817069
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Log P
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2.087
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Molar Refractivity
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45.6989 cm3
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Polarizability
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18.80309 Å3
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Polar Surface Area
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77.76 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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PATENTS
PATENTS
PubChem Patent
Google Patent