Formula |
C9H5F3N2O2 |
IUPAC Name |
4-[3-(trifluoromethyl)diazirin-3-yl]benzoic acid |
Molecular Mass |
230.143 g·mol−1 |
Heat of Formation |
-506.7 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.71 ± 1.08 D |
Volume |
232.43 Å 3 |
Surface Area |
219.8 Å 2 |
HOMO Energy |
-10.76 ± 0.55 eV |
LUMO Energy |
1.22 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-(1-azi-2,2,2-trifluoroethyl)benzoate
- 4-(3-trifluoromethyldiazirino)benzoic acid
- 4-atfeb
- benzoic acid, 4-(3-(trifluoromethyl)-3h-diazirin-3-yl)-
- tdba
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CAS Number(s) |
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InChIKey |
CZPAJVBVULSLGG-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
C
N
O
F
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