4-Isothiocyanatobenzoic Acid
Properties
Property | Value |
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Formula | C8H5NO2S |
IUPAC Name | 4-isothiocyanatobenzoic acid |
Molecular Mass | 179.196 g·mol−1 |
Heat of Formation | -116.2 ± 16.7 kJ·mol−1 |
Dipole Moment | 1.54 ± 1.08 D |
Volume | 196.82 Å 3 |
Surface Area | 200.25 Å 2 |
HOMO Energy | -9.12 ± 0.55 eV |
LUMO Energy | 1.35 ± eV |
Point Group Symmetry | Cs |
Synonyms |
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CAS Number(s) |
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InChIKey | RBEFRYQKJYMLCC-UHFFFAOYSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |