NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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1,2-dimethyl 3-nitrobenzene-1,2-dicarboxylate
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IUPAC Traditional name
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1,2-dimethyl 3-nitrophthalate
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Synonyms
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3-Nitrophthalic acid dimethyl ester
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Dimethyl 3-nitrophthalate
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3-硝基-邻苯二甲酯
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CAS Number
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MDL Number
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Beilstein Number
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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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4
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H Donor
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0
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LogD (pH = 5.5)
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1.9201839
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LogD (pH = 7.4)
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1.9201839
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Log P
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1.9201839
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Molar Refractivity
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56.4291 cm3
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Polarizability
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21.2328 Å3
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Polar Surface Area
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95.74 Å2
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Rotatable Bonds
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5
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Lipinski's Rule of Five
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true
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PATENTS
PATENTS
PubChem Patent
Google Patent