NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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{3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenyl}boronic acid
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IUPAC Traditional name
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3-[(3,5-dimethoxyphenyl)methoxy]-2,6-difluorophenylboronic acid
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Synonyms
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2,6-Difluoro-3-(3′,5′-dimethoxybenzyloxy)phenylboronic acid
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2,6-DIFLUORO-3-(3',5'-DIMETHOXYBENZYLOXY)PHENYLBORONIC ACID
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2,6-二氟-3-(3′,5′-二甲氧基苄氧基)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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7.591853
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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2.9338179
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LogD (pH = 7.4)
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2.7220838
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Log P
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2.9373
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Molar Refractivity
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75.0385 cm3
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Polarizability
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30.138393 Å3
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Polar Surface Area
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68.15 Å2
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Rotatable Bonds
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6
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
Sigma Aldrich -
651109
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Other Notes Contains varying amounts of anhydride Packaging 1, 5 g in glass bottle |
PATENTS
PATENTS
PubChem Patent
Google Patent