Formula |
C20H11NO2 |
IUPAC Name |
1-nitrobenzo[a]pyrene |
Molecular Mass |
297.307 g·mol−1 |
Heat of Formation |
326.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
6.33 ± 1.08 D |
Volume |
323.91 Å 3 |
Surface Area |
289.58 Å 2 |
HOMO Energy |
-8.66 ± 0.55 eV |
LUMO Energy |
-2.04 ± eV |
Point Group Symmetry |
Cs
|
Synonyms
|
- 1-nitrobenzo(a)pyrene
- benzo(a)pyrene, 1-nitro-
- benzo(a)pyrene, nitro-
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CAS Number(s) |
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InChIKey |
ICKISBPYFVBVQG-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
N
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