Drug-likeness Properties
sLogP
2.26548
HBD
0
HBA
3
AS92038-G1
Halides
Benzene
2-Iodo-4-nitrophenylacetonitrile 95%
CAS: 1261569-99-6
Molecular Formula
C8H5IN2O2
Molecular Weight
288.04
MDL
MFCD18398050
Unit Size
Price per 1 g
€812.00
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PRODUCT ATTACHED TO REQUEST:
2-Iodo-4-nitrophenylacetonitrile 95%
Catalogue Number: AS92038-G1
C.A.S / related C.A.S
1261569-99-6
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AS92038-G1
General Information
| Catalog #: | AS92038-G1 |
|---|---|
| Formula: | C8H5IN2O2 |
| Mass: | 288.04 |
| C.A.S. / related C.A.S: | 1261569-99-6 |
| MDL: | MFCD18398050 |
| Appearance: | solid |
| Colour: | clear |
| Hazardous Classification: | Giftig (Toxic) |
| Storage Temp: | 2-7°C Kühlschrank / Refrigerate |
| Dangerous Goods in Excepted Quantities: | |
| Tariff Code: | 2926907090 |
| Stock: | 0 |
| Material Safety Data Sheet: |
Computational Information
| SlogP: | 2.26548 |
|---|---|
| LabuteASA: | 88.46868087 |
| TPSA: | 66.93 |
| NumRotatableBonds: | 2 |
| NumHBD: | 0 |
| NumHBA: | 3 |
| NumHeavyAtoms: | 13 |
| NumRings: | 1 |