6,9-Dichloro[1]Benzothieno[3,2-D]Pyrimidin-4(1H)-One

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Properties Simple | Detailed

Formula C10H5Cl2N2OS+
IUPAC Name 6,9-dichloro-3h-benzothiopheno[3,2-d]pyrimidin-3-ium-4-one
Molecular Mass 272.130 g·mol−1
Heat of Formation 3.5 ± 16.7 kJ·mol−1
Dipole Moment 2.64 ± 1.08 D
Volume 258.13 Å 3
Surface Area 237.2 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy 1.30 ± eV
Point Group Symmetry Cs
InChIKey DJUSDFVEBBYFFL-UHFFFAOYSA-N
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Elements C Cl H O N S