Formula |
C17H11ClF4N2O |
IUPAC Name |
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-2-one |
Molecular Mass |
370.729 g·mol−1 |
Heat of Formation |
-758.5 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.59 ± 1.08 D |
Volume |
381.39 Å 3 |
Surface Area |
314.91 Å 2 |
HOMO Energy |
-9.63 ± 0.55 eV |
LUMO Energy |
-1.15 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1-(2,2,2-trifluoroethyl)-2h-1,4-benzodiazepin-2-one
- 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3h-1,4-benzodiazepin-2-one
- pdsp1_001779
- pdsp2_001762
- sch 15725
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CAS Number(s) |
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InChIKey |
YFSXBSRGIRSXAD-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
C
F
H
Cl
O
N
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