Formula |
C15H11ClFNO3 |
IUPAC Name |
2-[(3-chloro-4-fluoro-phenyl)methyl]-6,7-dihydroxy-isoindolin-1-one |
Molecular Mass |
307.704 g·mol−1 |
Heat of Formation |
-547.9 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.66 ± 1.08 D |
Volume |
327.17 Å 3 |
Surface Area |
292.33 Å 2 |
HOMO Energy |
-9.19 ± 0.55 eV |
LUMO Energy |
-0.88 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 2-(3-chloro-4-fluoro-benzyl)-6,7-dihydroxy-isoindolin-1-one
- 2-[(3-chloro-4-fluoro-phenyl)methyl]-6,7-dihydroxy-3h-isoindol-1-one
- 2-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydroxy-1-isoindolinone
- 2-[(3-chloro-4-fluorophenyl)methyl]-6,7-dihydroxy-3h-isoindol-1-one
|
InChIKey |
HBQNDWWKBFCHMH-UHFFFAOYSA-N |
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Links |
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DOI |
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Downloads |
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Elements |
C
Cl
H
F
O
N
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