Drug-likeness Properties
sLogP
3.3503
HBD
1
HBA
3
AS131062-G1
Halides
Carboxylic acids
Sulfur functional groups
Fluorides
Pyridine
2-[(2,3-Difluorobenzyl)thio]nicotinic Acid 95%
CAS: 1152830-63-1
Molecular Formula
C13H9F2NO2S
Molecular Weight
281.28
MDL
MFCD12649250
Unit Size
Price per 1 g
€808.00
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PRODUCT ATTACHED TO REQUEST:
2-[(2,3-Difluorobenzyl)thio]nicotinic Acid 95%
Catalogue Number: AS131062-G1
C.A.S / related C.A.S
1152830-63-1
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All products are tested and certified with CoA available upon request.
AS131062-G1
General Information
| Catalog #: | AS131062-G1 |
|---|---|
| Formula: | C13H9F2NO2S |
| Mass: | 281.28 |
| C.A.S. / related C.A.S: | 1152830-63-1 |
| MDL: | MFCD12649250 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Ätzende Wirkung (Corrosive) |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2933399990 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 3.3503 |
|---|---|
| LabuteASA: | 111.8479662 |
| TPSA: | 50.19 |
| NumRotatableBonds: | 4 |
| NumHBD: | 1 |
| NumHBA: | 3 |
| NumHeavyAtoms: | 19 |
| NumRings: | 2 |