Formula |
C12H9BrO4 |
IUPAC Name |
[4-(bromomethyl)-2-oxo-chromen-7-yl] acetate |
Molecular Mass |
297.101 g·mol−1 |
Heat of Formation |
-538.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.65 ± 1.08 D |
Volume |
272.97 Å 3 |
Surface Area |
259.35 Å 2 |
HOMO Energy |
-9.52 ± 0.55 eV |
LUMO Energy |
1.62 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2h-1-benzopyran-2-one, 7-(acetyloxy)-4-(bromomethyl)-
- 4-bromomethyl-7-acetoxycoumarin
- 7-acetoxy-4-bromomethylcoumarin
- [4-(bromomethyl)-2-oxo-chromen-7-yl] ethanoate
- [4-(bromomethyl)-2-oxochromen-7-yl] acetate
- acetic acid [4-(bromomethyl)-2-keto-chromen-7-yl] ester
- acetic acid [4-(bromomethyl)-2-oxo-7-chromenyl] ester
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CAS Number(s) |
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InChIKey |
YDJFMNSSDOXBSR-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
O
Br
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