Drug-likeness Properties
sLogP
2.96652
HBD
2
HBA
1
AS113226-G1
Halides
Carboxylic acids
Fluorides
Pyrrole
5-(3,4-Difluorophenyl)-3-methyl-1H-pyrrole-2-carboxylic acid 95%
CAS: 2111067-88-8
Molecular Formula
C12H9F2NO2
Molecular Weight
237.20
MDL
MFCD31728289
Unit Size
Price per 1 g
€1,092.00
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PRODUCT ATTACHED TO REQUEST:
5-(3,4-Difluorophenyl)-3-methyl-1H-pyrrole-2-carboxylic acid 95%
Catalogue Number: AS113226-G1
C.A.S / related C.A.S
2111067-88-8
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AS113226-G1
General Information
| Catalog #: | AS113226-G1 |
|---|---|
| Formula: | C12H9F2NO2 |
| Mass: | 237.20 |
| C.A.S. / related C.A.S: | 2111067-88-8 |
| MDL: | MFCD31728289 |
| Appearance: | solid |
| Colour: | white to off-white |
| Hazardous Classification: | Ätzende Wirkung (Corrosive) |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2933998090 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 2.96652 |
|---|---|
| LabuteASA: | 95.71436863 |
| TPSA: | 53.09 |
| NumRotatableBonds: | 2 |
| NumHBD: | 2 |
| NumHBA: | 1 |
| NumHeavyAtoms: | 17 |
| NumRings: | 2 |