Formula |
C9H7NO2S |
IUPAC Name |
methyl 2-isothiocyanatobenzoate |
Molecular Mass |
193.222 g·mol−1 |
Heat of Formation |
-83.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.75 ± 1.08 D |
Volume |
220.49 Å 3 |
Surface Area |
218.86 Å 2 |
HOMO Energy |
-8.79 ± 0.55 eV |
LUMO Energy |
-1.32 ± eV |
Point Group Symmetry |
C1
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Synonyms
|
- 2-isothiocyanatobenzoic acid methyl ester
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CAS Number(s) |
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InChIKey |
UNXVHBOJSCWVCD-UHFFFAOYSA-N |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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