NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-nitro-2,3-dihydro-1,3-benzoxazol-2-one
|
|
|
IUPAC Traditional name
|
5-nitro-3H-1,3-benzoxazol-2-one
|
|
|
Synonyms
|
5-Nitrobenzo[d]oxazol-2(3H)-one
|
5-nitro-1,3-benzoxazol-2(3H)-one
|
|
|
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
|
9.207387
|
H Acceptors
|
4
|
H Donor
|
1
|
LogD (pH = 5.5)
|
1.2715299
|
LogD (pH = 7.4)
|
1.265233
|
Log P
|
1.2716109
|
Molar Refractivity
|
42.5847 cm3
|
Polarizability
|
15.353577 Å3
|
Polar Surface Area
|
81.47 Å2
|
Rotatable Bonds
|
1
|
Lipinski's Rule of Five
|
true
|
PATENTS
PATENTS
PubChem Patent
Google Patent