NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(1,3,2-dioxaborinan-2-yl)benzonitrile
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IUPAC Traditional name
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2-(1,3,2-dioxaborinan-2-yl)benzonitrile
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Synonyms
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2-(2-Cyanophenyl)-1,3,2-dioxaborinane
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2-(1,3,2-Dioxaborinan-2-yl)benzonitrile
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2-Cyanobenzeneboronic acid, propane-1,3-diol ester
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2-Cyanobenzeneboronic acid 1,3-propanediol ester
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2-(1,3,2-DIOXABORINAN-2-YL)BENZONITRILE
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2-(1,3,2-Dioxaborolan-2-yl)benzonitrile
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2-Cyanophenylboronic acid propanediol ester
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2-Cyanophenylboronic acid 1,3-propanediol ester
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2-氰基苯硼酸 1,3-丙二醇酯
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2-(1,3,2,2-四甲基-二氧杂环戊硼烷-2-基)苯甲腈
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2-氰基苯基硼酸丙二醇酯
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2-氰基苯基硼酸1,3-丙二醇酯
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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
H Acceptors
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3
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H Donor
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0
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LogD (pH = 5.5)
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2.7849
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LogD (pH = 7.4)
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2.7849
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Log P
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2.7849
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Molar Refractivity
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48.1861 cm3
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Polarizability
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20.304504 Å3
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Polar Surface Area
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42.25 Å2
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Rotatable Bonds
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1
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Lipinski's Rule of Five
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true
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DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent