Formula |
C20H16ClF2N5O2 |
IUPAC Name |
(2s)-1-[[3-(2-chlorophenyl)-6-(2,4-difluorophenoxy)pyrazolo[3,4-d]pyrimidin-1-ium-7-id-4-yl]amino]propan-2-ol |
Molecular Mass |
431.823 g·mol−1 |
Heat of Formation |
-291.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.60 ± 1.08 D |
Volume |
458.89 Å 3 |
Surface Area |
391.23 Å 2 |
HOMO Energy |
-8.93 ± 0.55 eV |
LUMO Energy |
-0.94 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (
- )
- ,
- -
- 1
- 2
- 3
- 4
- 6
- [
- ]
- a
- c
- d
- e
- f
- h
- i
- l
- m
- n
- o
- p
- r
- s
- u
- x
- y
- z
|
InChIKey |
ULOWCFSJXCABBL-JTQLQIEISA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
F
O
N
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