Structure Info
- Chemspace ID
- CSSS00016991268 (In-Stock Screening Compounds)
- CAS
- 228418-45-9, 1833117-49-9
- MFCD
- MFCD08282772
- IUPAC Name
- methyl 2-nitro-4-(trifluoromethyl)benzoate
- Mol formula
- C9H6F3NO4
- Mol weight
- 249 Da
- Catalog Number(s)
- 190501, 228418-45-9, A015008295, A865013, AA00BEBU, AF31686, AG00BEEM, AG119822, AN31686, AOS00BEEM, AR00BF3M, AS-9388, ArZ-UP102673, BB017769, BBV-462681, BD249453, CB22121, CD12093930, CK2217, CS-0094440, CSC016991268, CSCR00010953373, D461470, D958959, F608727, FM64261, HY-W037892, JH216435, LAN-B39092, LAN-B43893, LN00187201, LQT-B39162, LQT-B43976, M324480, N31178, PB1274062929, PC7828, R653936, SAB-028734, SY024500, W159802, X2852, Y1465441, Z1273985461, Z1291186469, ZX-AE042374, ZXC330994, s_1458_6200584_483916, s_1458____6200584____483916
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.79
- Heavy atoms count
- 17
- Rotatable bond count
- 4
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 69
- Hydrogen bond acceptors count
- 3
- Hydrogen bond donors count
- 0
- Zoom the structure
- CSSS00016991268
Items Overall 13 items from 3 suppliers
| Supplier | Lead time | Ships from | Purity | Pack | Price, € | Qty |
|---|---|---|---|---|---|---|
| Enamine Ltd | 5 days | Ukraine To: | 90 | 1 mg | 71 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 2 mg | 73 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 5 mg | 78 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 10 mg | 87 | |
| Enamine Ltd | 5 days | Ukraine To: | 90 | 20 mg | 106 | |
| UORSY | 5 days | Ukraine To: | 90 | 1 mg | 71 | |
| UORSY | 5 days | Ukraine To: | 90 | 2 mg | 73 | |
| UORSY | 5 days | Ukraine To: | 90 | 5 mg | 78 | |
| UORSY | 5 days | Ukraine To: | 90 | 10 mg | 87 | |
| UORSY | 5 days | Ukraine To: | 90 | 20 mg | 106 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 1 mg | 48 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 5 mg | 59 | |
| Key Organics Limited (BIONET) | 10 days | United Kingdom To: | 90 | 10 mg | 81 |
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