Formula |
C8H4N2O5 |
IUPAC Name |
5-nitro-1,2-benzoxazole-3-carboxylic acid |
Molecular Mass |
208.128 g·mol−1 |
Heat of Formation |
-183.4 ± 16.7 kJ·mol−1 |
Dipole Moment |
3.36 ± 1.08 D |
Volume |
207.66 Å 3 |
Surface Area |
203.06 Å 2 |
HOMO Energy |
-10.76 ± 0.55 eV |
LUMO Energy |
-1.89 ± eV |
Point Group Symmetry |
Cs
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Synonyms
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- 1,2-benzisoxazole-3-carboxylic acid, 5-nitro-
- 5-nitro-3-carboxybenzisoxazole
- 5-nitroindoxazene-3-carboxylic acid
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CAS Number(s) |
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InChIKey |
QUPFSFMHDFHTFT-UHFFFAOYSA-N |
QR Code |
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Links |
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DOI |
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Downloads |
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Elements |
H
C
O
N
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