Formula |
C21H13Br |
IUPAC Name |
6-(bromomethyl)benzo[a]pyrene |
Molecular Mass |
345.232 g·mol−1 |
Heat of Formation |
327.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.89 ± 1.08 D |
Volume |
342.73 Å 3 |
Surface Area |
299.15 Å 2 |
HOMO Energy |
-8.20 ± 0.55 eV |
LUMO Energy |
-1.52 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 6-(bromomethyl)benzo[b]pyrene
- 6-bromomethylbenzo(a)pyrene
- benzo(a)pyrene, 6-bromomethyl-
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CAS Number(s) |
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InChIKey |
DMAOOKLAQXNHTK-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
Br
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