NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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2-(chloromethyl)-6-fluoro-1H-1,3-benzodiazole
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2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole
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IUPAC Traditional name
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2-(chloromethyl)-5-fluoro-3H-1,3-benzodiazole
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2-(chloromethyl)-5-fluoro-1H-1,3-benzodiazole
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Synonyms
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2-Chloromethyl-6-fluoro-1H-benzoimidazole
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2-(Chloromethyl)-5-fluoro-1H-benzimidazole
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CAS Number
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MDL Number
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MFCD09701666
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MFCD08234909
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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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11.544804
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H Acceptors
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1
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H Donor
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1
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LogD (pH = 5.5)
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1.9359816
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LogD (pH = 7.4)
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2.0607162
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Log P
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2.0626144
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Molar Refractivity
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44.3788 cm3
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Polarizability
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17.974297 Å3
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Polar Surface Area
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28.68 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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PATENTS
PATENTS
PubChem Patent
Google Patent