Formula |
C5H4BrN5O |
IUPAC Name |
2-amino-8-bromo-3,7-dihydropurin-6-one |
Molecular Mass |
230.022 g·mol−1 |
Heat of Formation |
123.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.65 ± 1.08 D |
Volume |
188.16 Å 3 |
Surface Area |
189.41 Å 2 |
HOMO Energy |
-9.35 ± 0.55 eV |
LUMO Energy |
2.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-8-bromo-1,7-dihydro-6h-purin-6-one
- 2-amino-8-bromo-1,9-dihydro-purin-6-one
- 2-amino-8-bromo-3,7-dihydropurin-6-one
- bb_nc-1467
- brg
- oprea1_446829
- oprea1_518355
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CAS Number(s) |
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InChIKey |
CRYCZDRIXVHNQB-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
O
Br
N
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