Formula |
C8H6N2O5S |
IUPAC Name |
5-carbamoylsulfanyl-2-nitro-benzoic acid |
Molecular Mass |
242.209 g·mol−1 |
Heat of Formation |
-433.6 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.26 ± 1.08 D |
Volume |
245.95 Å 3 |
Surface Area |
233.11 Å 2 |
HOMO Energy |
-9.78 ± 0.55 eV |
LUMO Energy |
-1.92 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-nitro-5-carbamylthiobenzoic acid
- 2-nitro-5-thiocarbamylbenzoic acid
- 2-ntcba
- 5-(carbamoylthio)-2-nitro-benzoic acid
- 5-(carbamoylthio)-2-nitrobenzoic acid
- 5-aminocarbonylsulfanyl-2-nitro-benzoic acid
- 5-carbamoylsulfanyl-2-nitrobenzoic acid
- benzoic acid, 5-((aminocarbonyl)thio)-2-nitro-
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CAS Number(s) |
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InChIKey |
MKJSYUAWCFCTKL-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
O
N
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