Formula |
C7H5NO4S |
IUPAC Name |
2-nitro-5-sulfanyl-benzoic acid |
Molecular Mass |
199.184 g·mol−1 |
Heat of Formation |
-263.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.38 ± 1.08 D |
Volume |
206.73 Å 3 |
Surface Area |
199.36 Å 2 |
HOMO Energy |
-9.51 ± 0.55 eV |
LUMO Energy |
-1.84 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 2-nitro-5-mercaptobenzoic acid
- 2-nitro-5-sulfanylbenzoic acid
- 2-nitro-5-thiobenzoic acid
- 5-mercapto-2-nitro-benzoic acid
- 5-mercapto-2-nitrobenzoate
- 5-mercapto-2-nitrobenzoic acid
- mnb
- thionitrobenzoate
- thionitrobenzoic acid
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CAS Number(s) |
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InChIKey |
GANZODCWZFAEGN-UHFFFAOYSA-N |
QR Code |
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Links |
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Downloads |
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Elements |
H
S
C
O
N
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