NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
[3-(benzylcarbamoyl)-5-fluorophenyl]boronic acid
|
|
|
IUPAC Traditional name
|
3-(benzylcarbamoyl)-5-fluorophenylboronic acid
|
|
|
Synonyms
|
3-Benzylcarbamoyl-5-fluorophenylboronic acid
|
N-Benzyl 3-borono-5-fluorobenzamide
|
3-Benzylcarbamoyl-5-fluorobenzeneboronic acid
|
3-(Benzylcarbamoyl)-5-fluorobenzeneboronic acid 98%
|
3-苄基氨甲酰基-5-氟苯硼酸
|
|
|
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
|
8.444707
|
H Acceptors
|
3
|
H Donor
|
3
|
LogD (pH = 5.5)
|
2.4530096
|
LogD (pH = 7.4)
|
2.4161808
|
Log P
|
2.4535
|
Molar Refractivity
|
69.4076 cm3
|
Polarizability
|
27.476217 Å3
|
Polar Surface Area
|
69.56 Å2
|
Rotatable Bonds
|
4
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent