NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,3-diethyl 2-{[4-chloro(2H4)phenyl]formamido}propanedioate
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IUPAC Traditional name
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1,3-diethyl 2-{[4-chloro(2H4)phenyl]formamido}propanedioate
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Synonyms
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[(4-Chlorobenzoyl)amino]propanedioic Acid-d4 Diethyl Ester
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(p-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester
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Diethyl (4-Chlorobenzamido)malonate-d4
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(4-Chlorobenzoylamino)malonic Acid-d4 Diethyl Ester
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CAS 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
Data Source
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Data ID
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Price
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TRC
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CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
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10.543313
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H Acceptors
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3
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H Donor
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1
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LogD (pH = 5.5)
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2.595975
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LogD (pH = 7.4)
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2.595667
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Log P
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2.1293123
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Molar Refractivity
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75.938 cm3
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Polarizability
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29.600002 Å3
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Polar Surface Area
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81.7 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent