Formula |
C7H8ClN5O |
IUPAC Name |
2-amino-7-(2-chloroethyl)-3,8-dihydropurine-1,2,4,5,8,9-hexaid-6-one |
Molecular Mass |
213.624 g·mol−1 |
Heat of Formation |
41.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.91 ± 1.08 D |
Volume |
226.32 Å 3 |
Surface Area |
216.05 Å 2 |
HOMO Energy |
-9.33 ± 0.55 eV |
LUMO Energy |
-0.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-amino-7-(2-chloroethyl)-3h-purin-6-one
- 6h-purin-6-one, 2-amino-7-(2-chloroethyl)-1,7-dihydro-
- 7-(beta-chloroethyl)guanine
- 7-[2-chloroethyl]guanine
- chloroethylguanine
- guanine,7-(2-chloroethyl)
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CAS Number(s) |
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InChIKey |
SULBUWBTSDCEDY-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
N
O
Cl
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