NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
4-nitro-2-(trifluoromethyl)benzoic acid
|
|
|
IUPAC Traditional name
|
4-nitro-2-(trifluoromethyl)benzoic acid
|
|
|
Synonyms
|
4-Nitro-2-(trifluoromethyl)benzoic acid
|
4-Nitro-2-trifluoromethylbenzoic Acid
|
2-Carboxy-5-nitrobenzotrifluoride
|
4-Nitro-2-(trifluoromethyl)benzoic acid
|
4-硝基-2-(三氟甲基)苯甲酸
|
|
|
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
|
2.1954832
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-0.6531114
|
LogD (pH = 7.4)
|
-1.0717268
|
Log P
|
2.4486613
|
Molar Refractivity
|
45.6084 cm3
|
Polarizability
|
16.21731 Å3
|
Polar Surface Area
|
80.44 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
DETAILS
DETAILS
Sigma Aldrich
PATENTS
PATENTS
PubChem Patent
Google Patent