Formula |
C17H11ClN4O |
IUPAC Name |
4-[3-(4-chlorophenyl)-2,1-benzoxazol-5-yl]pyrimidin-2-amine |
Molecular Mass |
322.748 g·mol−1 |
Heat of Formation |
413.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
2.04 ± 1.08 D |
Volume |
351.88 Å 3 |
Surface Area |
324.59 Å 2 |
HOMO Energy |
-8.97 ± 0.55 eV |
LUMO Energy |
1.34 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 10h-944
- [4-[3-(4-chlorophenyl)anthranil-5-yl]pyrimidin-2-yl]amine
- oprea1_582711
|
InChIKey |
AQVFETGXIRKVAQ-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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|
Elements |
H
C
Cl
O
N
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