NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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3-(dihydroxyboranyl)-4-fluorobenzoic acid
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IUPAC Traditional name
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3-(dihydroxyboranyl)-4-fluorobenzoic acid
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Synonyms
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3-Borono-4-fluorobenzoic acid
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2-Fluoro-5-carboxybenzeneboronic acid
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5-Carboxy-2-fluorobenzeneboronic acid 96%
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5-Carboxy-2-fluorophenylboronic acid
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2-氟-5-羧基苯硼酸
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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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4.118402
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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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-0.1027374
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LogD (pH = 7.4)
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-1.9054756
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Log P
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1.2952
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Molar Refractivity
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38.0761 cm3
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Polarizability
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15.702218 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