NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(3,5-dichlorophenyl)propane-1,2-dione
|
|
|
IUPAC Traditional name
|
1-(3,5-dichlorophenyl)propane-1,2-dione
|
|
|
Synonyms
|
1-(3,5-Dichlorophenyl)-1,2-propandione
|
|
|
CAS Number
|
|
MDL Number
|
|
PubChem SID
|
|
PubChem CID
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
Acid pKa
|
16.887745
|
H Acceptors
|
2
|
H Donor
|
0
|
LogD (pH = 5.5)
|
3.0282023
|
LogD (pH = 7.4)
|
3.0282023
|
Log P
|
3.0282023
|
Molar Refractivity
|
51.4164 cm3
|
Polarizability
|
19.804436 Å3
|
Polar Surface Area
|
34.14 Å2
|
Rotatable Bonds
|
2
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent