NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-chloro-5-(dihydroxyboranyl)benzoic acid
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IUPAC Traditional name
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2-chloro-5-(dihydroxyboranyl)benzoic acid
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Synonyms
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5-Borono-2-chlorobenzoic acid
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3-Carboxy-4-chlorophenylboronic acid
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5-Borono-2-chlorobenzoic acid
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3-Carboxy-4-chlorobenzeneboronic acid
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3-Carboxy-4-chlorophenylboronic acid
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3-Carboxy-4-chlorobenzeneboronic acid
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3-羧基-4-氯苯硼酸
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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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2.969205
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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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-0.8289279
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LogD (pH = 7.4)
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-1.9555429
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Log P
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1.6737
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Molar Refractivity
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42.6645 cm3
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Polarizability
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17.875973 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