Drug-likeness Properties
sLogP
3.0642
HBD
0
HBA
4
AS93448-G1
Fluorides
Benzene
Methyl 2-Methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propionate 95%
CAS: –
Molecular Formula
C12H12F3NO4
Molecular Weight
291.22
MDL
MFCD31543796
Unit Size
Price per 1 g
€922.00
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Methyl 2-Methyl-2-[2-nitro-4-(trifluoromethyl)phenyl]propionate 95%
Catalogue Number: AS93448-G1
C.A.S / related C.A.S
—
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AS93448-G1
General Information
| Catalog #: | AS93448-G1 |
|---|---|
| Formula: | C12H12F3NO4 |
| Mass: | 291.22 |
| C.A.S. / related C.A.S: | |
| MDL: | MFCD31543796 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Achtung / Warning |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2916399090 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 3.0642 |
|---|---|
| LabuteASA: | 112.0457051 |
| TPSA: | 69.44 |
| NumRotatableBonds: | 3 |
| NumHBD: | 0 |
| NumHBA: | 4 |
| NumHeavyAtoms: | 20 |
| NumRings: | 1 |