Formula |
C7H4N4S |
IUPAC Name |
1-azido-4-isothiocyanato-benzene |
Molecular Mass |
176.198 g·mol−1 |
Heat of Formation |
578.3 ± 16.7 kJ·mol−1 |
Dipole Moment |
1.58 ± 1.08 D |
Volume |
201.15 Å 3 |
Surface Area |
205.44 Å 2 |
HOMO Energy |
-8.78 ± 0.55 eV |
LUMO Energy |
-1.46 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-azidophenyl isothiocyanate
- 4-azidophenylisothiocyanate
- benzene, 1-azido-4-isothiocyanato-
- n3phncs
- para-azidophenyl isothiocyanate
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CAS Number(s) |
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InChIKey |
XMPGXADJZXSISQ-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
S
C
N
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